N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine

C74H165N17OS — CID 158251839

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCCCC1.CC(C)(C)NCCN1CCNCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)NCCN1CCSCC1.CCN1CCN(CCNC(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C12H27N3.C11H25N3.C11H24N2.C10H23N3.C10H22N2O.C10H22N2S.C10H22N2/c1-5-14-8-10-15(11-9-14)7-6-13-12(2,3)4;1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-10(2,3)12-6-9-13-7-4-11-5-8-13;2*1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12/h13H,5-11H2,1-4H3;12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;11-12H,4-9H2,1-3H3;2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3
InChIKeyGGURKAKNFOPUMP-UHFFFAOYSA-N
MW1341.32 g/mol
LogP7.37
Rot. Bonds22

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (PubChem CID 158251839) has the molecular formula C74H165N17OS and a molecular weight of 1341.32 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
PubChem CID158251839
Molecular FormulaC74H165N17OS
Molecular Weight1341.32 g/mol
Exact Mass1340.31
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCCCC1.CC(C)(C)NCCN1CCNCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)NCCN1CCSCC1.CCN1CCN(CCNC(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C12H27N3.C11H25N3.C11H24N2.C10H23N3.C10H22N2O.C10H22N2S.C10H22N2/c1-5-14-8-10-15(11-9-14)7-6-13-12(2,3)4;1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-10(2,3)12-6-9-13-7-4-11-5-8-13;2*1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12/h13H,5-11H2,1-4H3;12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;11-12H,4-9H2,1-3H3;2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3
InChIKeyGGURKAKNFOPUMP-UHFFFAOYSA-N
XLogP7.37
TPSA134.63 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.32
LogP ≤ 57.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (CID 158251839) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is CC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCCCC1.CC(C)(C)NCCN1CCNCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)NCCN1CCSCC1.CCN1CCN(CCNC(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The InChIKey is GGURKAKNFOPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3.C11H25N3.C11H24N2.C10H23N3.C10H22N2O.C10H22N2S.C10H22N2/c1-5-14-8-10-15(11-9-14)7-6-13-12(2,3)4;1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-11(2,3)12-7-10-13-8-5-4-6-9-13;1-10(2,3)12-6-9-13-7-4-11-5-8-13;2*1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12/h13H,5-11H2,1-4H3;12H,5-10H2,1-4H3;12H,4-10H2,1-3H3;11-12H,4-9H2,1-3H3;2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine has a molecular weight of 1341.32 g/mol, XLogP of 7.37, 22 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 158251839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).