5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine

C13H21ClN2 — CID 61289139

IUPAC5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
SMILESCN(CCCCCCl)CCc1ccccn1
InChIInChI=1S/C13H21ClN2/c1-16(11-6-2-4-9-14)12-8-13-7-3-5-10-15-13/h3,5,7,10H,2,4,6,8-9,11-12H2,1H3
InChIKeyLWKHQKMLMOPCRA-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.96
Rot. Bonds8

About 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine

5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine (PubChem CID 61289139) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
PubChem CID61289139
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
SMILESCN(CCCCCCl)CCc1ccccn1
InChIInChI=1S/C13H21ClN2/c1-16(11-6-2-4-9-14)12-8-13-7-3-5-10-15-13/h3,5,7,10H,2,4,6,8-9,11-12H2,1H3
InChIKeyLWKHQKMLMOPCRA-UHFFFAOYSA-N
XLogP2.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
CID 106707873
2-methyl-2-(methylamino)-6-[methyl(2-pyridin-2-ylethyl)amino]hexan-1-ol
CID 64796903
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
1-amino-2-methyl-5-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 64819411
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine (CID 61289139) is 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine is CN(CCCCCCl)CCc1ccccn1.
What is the InChIKey of 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
The InChIKey is LWKHQKMLMOPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-16(11-6-2-4-9-14)12-8-13-7-3-5-10-15-13/h3,5,7,10H,2,4,6,8-9,11-12H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine?
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine has a molecular weight of 240.78 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 61289139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).