(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine

C11H17ClN2 — CID 171218349

IUPAC(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-2-3-4-5-11(13)9-6-7-14-8-10(9)12/h6-8,11H,2-5,13H2,1H3/t11-/m0/s1
InChIKeyJAPKXFUIVXVYPQ-NSHDSACASA-N
MW212.72 g/mol
LogP3.32
Rot. Bonds5

About (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine

(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine (PubChem CID 171218349) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
PubChem CID171218349
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccncc1Cl
InChIInChI=1S/C11H17ClN2/c1-2-3-4-5-11(13)9-6-7-14-8-10(9)12/h6-8,11H,2-5,13H2,1H3/t11-/m0/s1
InChIKeyJAPKXFUIVXVYPQ-NSHDSACASA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.32
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

1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
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-(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
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine?
The IUPAC name of (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine (CID 171218349) is (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine?
The canonical SMILES for (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine is CCCCC[C@H](N)c1ccncc1Cl.
What is the InChIKey of (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine?
The InChIKey is JAPKXFUIVXVYPQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17ClN2/c1-2-3-4-5-11(13)9-6-7-14-8-10(9)12/h6-8,11H,2-5,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine?
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine is sourced from PubChem (CID 171218349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).