(1S)-1-pyridin-4-ylpropan-1-amine

C8H12N2 — CID 26722519

IUPAC(1S)-1-pyridin-4-ylpropan-1-amine
SMILESCC[C@H](N)c1ccncc1
InChIInChI=1S/C8H12N2/c1-2-8(9)7-3-5-10-6-4-7/h3-6,8H,2,9H2,1H3/t8-/m0/s1
InChIKeyVGFZORUFTNLGLI-QMMMGPOBSA-N
MW136.20 g/mol
LogP1.49
Rot. Bonds2

About (1S)-1-pyridin-4-ylpropan-1-amine

(1S)-1-pyridin-4-ylpropan-1-amine (PubChem CID 26722519) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1S)-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-pyridin-4-ylpropan-1-amine
PubChem CID26722519
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1S)-1-pyridin-4-ylpropan-1-amine
SMILESCC[C@H](N)c1ccncc1
InChIInChI=1S/C8H12N2/c1-2-8(9)7-3-5-10-6-4-7/h3-6,8H,2,9H2,1H3/t8-/m0/s1
InChIKeyVGFZORUFTNLGLI-QMMMGPOBSA-N
XLogP1.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
CID 114066633
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of (1S)-1-pyridin-4-ylpropan-1-amine (CID 26722519) is (1S)-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for (1S)-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for (1S)-1-pyridin-4-ylpropan-1-amine is CC[C@H](N)c1ccncc1.
What is the InChIKey of (1S)-1-pyridin-4-ylpropan-1-amine?
The InChIKey is VGFZORUFTNLGLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-8(9)7-3-5-10-6-4-7/h3-6,8H,2,9H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-pyridin-4-ylpropan-1-amine?
(1S)-1-pyridin-4-ylpropan-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 26722519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).