(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine

C11H17ClN2 — CID 171198991

IUPAC(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-2-3-4-7-10(13)9-6-5-8-14-11(9)12/h5-6,8,10H,2-4,7,13H2,1H3/t10-/m1/s1
InChIKeyABFVNHIRPSCOHI-SNVBAGLBSA-N
MW212.72 g/mol
LogP3.32
Rot. Bonds5

About (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine

(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine (PubChem CID 171198991) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
PubChem CID171198991
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-2-3-4-7-10(13)9-6-5-8-14-11(9)12/h5-6,8,10H,2-4,7,13H2,1H3/t10-/m1/s1
InChIKeyABFVNHIRPSCOHI-SNVBAGLBSA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
1-quinolin-8-ylhexan-1-amine
CID 105021327
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine?
The IUPAC name of (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine (CID 171198991) is (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine is CCCCC[C@@H](N)c1cccnc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine?
The InChIKey is ABFVNHIRPSCOHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-2-3-4-7-10(13)9-6-5-8-14-11(9)12/h5-6,8,10H,2-4,7,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine?
(1R)-1-(2-chloro-3-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 (1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine is sourced from PubChem (CID 171198991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).