N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine

C16H27N3 — CID 62257036

IUPACN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
SMILESCNCC1(CN(C)CCc2ccncc2)CCCC1
InChIInChI=1S/C16H27N3/c1-17-13-16(8-3-4-9-16)14-19(2)12-7-15-5-10-18-11-6-15/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3
InChIKeyNRPYBECEWQGVNV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.34
Rot. Bonds7

About N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine

N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine (PubChem CID 62257036) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
PubChem CID62257036
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine
SMILESCNCC1(CN(C)CCc2ccncc2)CCCC1
InChIInChI=1S/C16H27N3/c1-17-13-16(8-3-4-9-16)14-19(2)12-7-15-5-10-18-11-6-15/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3
InChIKeyNRPYBECEWQGVNV-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244934
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 64679118
2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
2-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
CID 62259359
5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
CID 107204564
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine (CID 62257036) is N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine is CNCC1(CN(C)CCc2ccncc2)CCCC1.
What is the InChIKey of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine?
The InChIKey is NRPYBECEWQGVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-13-16(8-3-4-9-16)14-19(2)12-7-15-5-10-18-11-6-15/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine?
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62257036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).