N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

C15H33N3 — CID 62777636

IUPACN-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)(C)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-16-12-15(4,5)13-18-9-7-17(8-10-18)11-14(2)3/h14,16H,6-13H2,1-5H3
InChIKeyDNLPSHVHSVMHNQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.90
Rot. Bonds7

About N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (PubChem CID 62777636) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
PubChem CID62777636
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)(C)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-16-12-15(4,5)13-18-9-7-17(8-10-18)11-14(2)3/h14,16H,6-13H2,1-5H3
InChIKeyDNLPSHVHSVMHNQ-UHFFFAOYSA-N
XLogP1.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62256195
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
CID 62776591
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
N-ethyl-3-(3-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62257877
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pentan-1-ol
CID 62777293
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
CID 64788004
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
CID 64583581
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
CID 62778148

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (CID 62777636) is N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is CCNCC(C)(C)CN1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The InChIKey is DNLPSHVHSVMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-16-12-15(4,5)13-18-9-7-17(8-10-18)11-14(2)3/h14,16H,6-13H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62777636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).