2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine

C14H23ClN2 — CID 106117164

IUPAC2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
SMILESCCCC(CCCl)CNCc1cncc(C)c1
InChIInChI=1S/C14H23ClN2/c1-3-4-13(5-6-15)9-17-11-14-7-12(2)8-16-10-14/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyRMVDMBWWSXEQOY-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine

2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine (PubChem CID 106117164) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
PubChem CID106117164
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
SMILESCCCC(CCCl)CNCc1cncc(C)c1
InChIInChI=1S/C14H23ClN2/c1-3-4-13(5-6-15)9-17-11-14-7-12(2)8-16-10-14/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyRMVDMBWWSXEQOY-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 106117175
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102879073
2,2-dicyclopropyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880910
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
4-chloro-1-methoxy-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 106152389
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
2-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]pentan-1-amine
CID 114145599
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
methyl 2-bromo-3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 103492308
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine (CID 106117164) is 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine is CCCC(CCCl)CNCc1cncc(C)c1.
What is the InChIKey of 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine?
The InChIKey is RMVDMBWWSXEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-3-4-13(5-6-15)9-17-11-14-7-12(2)8-16-10-14/h7-8,10,13,17H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine?
2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine has a molecular weight of 254.80 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 106117164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).