N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 63060169

IUPACN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(c2ccccc2CNCC(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-8-6-5-7-16(17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyCACQFGFSQGPFRA-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.57
Rot. Bonds6

About N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63060169) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63060169
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(c2ccccc2CNCC(C)C)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-8-6-5-7-16(17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyCACQFGFSQGPFRA-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 71855479
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63060169) is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCN1CCN(c2ccccc2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CACQFGFSQGPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)17-8-6-5-7-16(17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63060169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).