(1S)-1-pyridin-3-ylhexan-1-amine

C11H18N2 — CID 94506966

IUPAC(1S)-1-pyridin-3-ylhexan-1-amine
SMILESCCCCC[C@H](N)c1cccnc1
InChIInChI=1S/C11H18N2/c1-2-3-4-7-11(12)10-6-5-8-13-9-10/h5-6,8-9,11H,2-4,7,12H2,1H3/t11-/m0/s1
InChIKeyVGGHYIGCVFOYGH-NSHDSACASA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds5

About (1S)-1-pyridin-3-ylhexan-1-amine

(1S)-1-pyridin-3-ylhexan-1-amine (PubChem CID 94506966) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-1-pyridin-3-ylhexan-1-amine.

Molecular Properties

Compound Name(1S)-1-pyridin-3-ylhexan-1-amine
PubChem CID94506966
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-1-pyridin-3-ylhexan-1-amine
SMILESCCCCC[C@H](N)c1cccnc1
InChIInChI=1S/C11H18N2/c1-2-3-4-7-11(12)10-6-5-8-13-9-10/h5-6,8-9,11H,2-4,7,12H2,1H3/t11-/m0/s1
InChIKeyVGGHYIGCVFOYGH-NSHDSACASA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
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-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
3-tridecan-7-ylpyridine
CID 129119745
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
3-decan-5-ylpyridine
CID 170375029
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
3-(1-bromoheptyl)pyridine
CID 140580722
3-dodecan-5-ylpyridine
CID 71051175
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-3-ylhexan-1-amine?
The IUPAC name of (1S)-1-pyridin-3-ylhexan-1-amine (CID 94506966) is (1S)-1-pyridin-3-ylhexan-1-amine.
What is the SMILES notation for (1S)-1-pyridin-3-ylhexan-1-amine?
The canonical SMILES for (1S)-1-pyridin-3-ylhexan-1-amine is CCCCC[C@H](N)c1cccnc1.
What is the InChIKey of (1S)-1-pyridin-3-ylhexan-1-amine?
The InChIKey is VGGHYIGCVFOYGH-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-7-11(12)10-6-5-8-13-9-10/h5-6,8-9,11H,2-4,7,12H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-pyridin-3-ylhexan-1-amine?
(1S)-1-pyridin-3-ylhexan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-3-ylhexan-1-amine is sourced from PubChem (CID 94506966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).