5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine

C13H21ClN2 — CID 80628542

IUPAC5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CCl)cc1C
InChIInChI=1S/C13H21ClN2/c1-4-5-6-7-16(3)13-11(2)8-12(9-14)10-15-13/h8,10H,4-7,9H2,1-3H3
InChIKeyPBGQHAOKWOKBMD-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.76
Rot. Bonds6

About 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine

5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine (PubChem CID 80628542) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
PubChem CID80628542
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CCl)cc1C
InChIInChI=1S/C13H21ClN2/c1-4-5-6-7-16(3)13-11(2)8-12(9-14)10-15-13/h8,10H,4-7,9H2,1-3H3
InChIKeyPBGQHAOKWOKBMD-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.76
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

5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80633736
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
CID 66279285
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
CID 113380652
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357
5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80629812
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
CID 80628236

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine (CID 80628542) is 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine is CCCCCN(C)c1ncc(CCl)cc1C.
What is the InChIKey of 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
The InChIKey is PBGQHAOKWOKBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-5-6-7-16(3)13-11(2)8-12(9-14)10-15-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine?
5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine has a molecular weight of 240.78 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 80628542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).