(2S)-1-pyridin-3-ylbutan-2-amine

C9H14N2 — CID 93246137

IUPAC(2S)-1-pyridin-3-ylbutan-2-amine
SMILESCC[C@H](N)Cc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-9(10)6-8-4-3-5-11-7-8/h3-5,7,9H,2,6,10H2,1H3/t9-/m0/s1
InChIKeyPJFHDGNAFCIJQE-VIFPVBQESA-N
MW150.22 g/mol
LogP1.36
Rot. Bonds3

About (2S)-1-pyridin-3-ylbutan-2-amine

(2S)-1-pyridin-3-ylbutan-2-amine (PubChem CID 93246137) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2S)-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-pyridin-3-ylbutan-2-amine
PubChem CID93246137
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2S)-1-pyridin-3-ylbutan-2-amine
SMILESCC[C@H](N)Cc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-9(10)6-8-4-3-5-11-7-8/h3-5,7,9H,2,6,10H2,1H3/t9-/m0/s1
InChIKeyPJFHDGNAFCIJQE-VIFPVBQESA-N
XLogP1.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 79882772
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of (2S)-1-pyridin-3-ylbutan-2-amine (CID 93246137) is (2S)-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for (2S)-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for (2S)-1-pyridin-3-ylbutan-2-amine is CC[C@H](N)Cc1cccnc1.
What is the InChIKey of (2S)-1-pyridin-3-ylbutan-2-amine?
The InChIKey is PJFHDGNAFCIJQE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2/c1-2-9(10)6-8-4-3-5-11-7-8/h3-5,7,9H,2,6,10H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-pyridin-3-ylbutan-2-amine?
(2S)-1-pyridin-3-ylbutan-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 93246137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).