(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride

C10H16Cl2N2 — CID 171218513

IUPAC(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cccnc1Cl.Cl
InChIInChI=1S/C10H15ClN2.ClH/c1-2-3-6-9(12)8-5-4-7-13-10(8)11;/h4-5,7,9H,2-3,6,12H2,1H3;1H/t9-;/m0./s1
InChIKeyXXRPSVKUEYRUNQ-FVGYRXGTSA-N
MW235.16 g/mol
LogP3.35
Rot. Bonds4

About (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride

(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride (PubChem CID 171218513) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
PubChem CID171218513
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cccnc1Cl.Cl
InChIInChI=1S/C10H15ClN2.ClH/c1-2-3-6-9(12)8-5-4-7-13-10(8)11;/h4-5,7,9H,2-3,6,12H2,1H3;1H/t9-;/m0./s1
InChIKeyXXRPSVKUEYRUNQ-FVGYRXGTSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
CID 171260290
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
1-quinolin-8-ylhexan-1-amine
CID 105021327
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride (CID 171218513) is (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1cccnc1Cl.Cl.
What is the InChIKey of (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride?
The InChIKey is XXRPSVKUEYRUNQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15ClN2.ClH/c1-2-3-6-9(12)8-5-4-7-13-10(8)11;/h4-5,7,9H,2-3,6,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride?
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride has a molecular weight of 235.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171218513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).