1-(3-chloro-4-pyridinyl)undecan-1-amine

C16H27ClN2 — CID 105138168

IUPAC1-(3-chloro-4-pyridinyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1ccncc1Cl
InChIInChI=1S/C16H27ClN2/c1-2-3-4-5-6-7-8-9-10-16(18)14-11-12-19-13-15(14)17/h11-13,16H,2-10,18H2,1H3
InChIKeyVQMQBHFJZKLEJU-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.27
Rot. Bonds10

About 1-(3-chloro-4-pyridinyl)undecan-1-amine

1-(3-chloro-4-pyridinyl)undecan-1-amine (PubChem CID 105138168) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)undecan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)undecan-1-amine
PubChem CID105138168
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(3-chloro-4-pyridinyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1ccncc1Cl
InChIInChI=1S/C16H27ClN2/c1-2-3-4-5-6-7-8-9-10-16(18)14-11-12-19-13-15(14)17/h11-13,16H,2-10,18H2,1H3
InChIKeyVQMQBHFJZKLEJU-UHFFFAOYSA-N
XLogP5.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.27
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

(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-pyridin-4-ylnonan-1-amine
CID 62600271
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)undecan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)undecan-1-amine (CID 105138168) is 1-(3-chloro-4-pyridinyl)undecan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)undecan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)undecan-1-amine is CCCCCCCCCCC(N)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)undecan-1-amine?
The InChIKey is VQMQBHFJZKLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-2-3-4-5-6-7-8-9-10-16(18)14-11-12-19-13-15(14)17/h11-13,16H,2-10,18H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)undecan-1-amine?
1-(3-chloro-4-pyridinyl)undecan-1-amine has a molecular weight of 282.86 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)undecan-1-amine is sourced from PubChem (CID 105138168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).