1-(3-chloro-2-pyridinyl)tridecan-1-amine

C18H31ClN2 — CID 103443784

IUPAC1-(3-chloro-2-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ncccc1Cl
InChIInChI=1S/C18H31ClN2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18-16(19)13-12-15-21-18/h12-13,15,17H,2-11,14,20H2,1H3
InChIKeyZXNUZSAPFPSDNF-UHFFFAOYSA-N
MW310.91 g/mol
LogP6.05
Rot. Bonds12

About 1-(3-chloro-2-pyridinyl)tridecan-1-amine

1-(3-chloro-2-pyridinyl)tridecan-1-amine (PubChem CID 103443784) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)tridecan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)tridecan-1-amine
PubChem CID103443784
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name1-(3-chloro-2-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ncccc1Cl
InChIInChI=1S/C18H31ClN2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18-16(19)13-12-15-21-18/h12-13,15,17H,2-11,14,20H2,1H3
InChIKeyZXNUZSAPFPSDNF-UHFFFAOYSA-N
XLogP6.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.91
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
[2-[(1R)-1-aminopentyl]-3-pyridinyl]methanol
CID 55263692
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
1-(3-chloro-2-pyridinyl)dodecyl prop-2-enoate
CID 141307339
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)tridecan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)tridecan-1-amine (CID 103443784) is 1-(3-chloro-2-pyridinyl)tridecan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)tridecan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)tridecan-1-amine is CCCCCCCCCCCCC(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)tridecan-1-amine?
The InChIKey is ZXNUZSAPFPSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18-16(19)13-12-15-21-18/h12-13,15,17H,2-11,14,20H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)tridecan-1-amine?
1-(3-chloro-2-pyridinyl)tridecan-1-amine has a molecular weight of 310.91 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)tridecan-1-amine is sourced from PubChem (CID 103443784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).