(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine

C9H14N2 — CID 42079600

IUPAC(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESC[C@H](CN)Cc1ccncc1
InChIInChI=1S/C9H14N2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-5,8H,6-7,10H2,1H3/t8-/m0/s1
InChIKeyDOHBWNHTMAUNTK-QMMMGPOBSA-N
MW150.22 g/mol
LogP1.22
Rot. Bonds3

About (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine

(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 42079600) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID42079600
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESC[C@H](CN)Cc1ccncc1
InChIInChI=1S/C9H14N2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-5,8H,6-7,10H2,1H3/t8-/m0/s1
InChIKeyDOHBWNHTMAUNTK-QMMMGPOBSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-phenylpropan-1-amine
CID 12672558
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
(3-methyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105199657
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
4-(2-methylbut-3-ynyl)pyridine
CID 83929898
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine (CID 42079600) is (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine is C[C@H](CN)Cc1ccncc1.
What is the InChIKey of (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is DOHBWNHTMAUNTK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-5,8H,6-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine?
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 42079600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).