2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine

C12H20N2 — CID 97044827

IUPAC2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
SMILESCCC[C@H](C)CNc1cccnc1C
InChIInChI=1S/C12H20N2/c1-4-6-10(2)9-14-12-7-5-8-13-11(12)3/h5,7-8,10,14H,4,6,9H2,1-3H3/t10-/m0/s1
InChIKeyPRVDYNDIXLJJBM-JTQLQIEISA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine

2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine (PubChem CID 97044827) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
PubChem CID97044827
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
SMILESCCC[C@H](C)CNc1cccnc1C
InChIInChI=1S/C12H20N2/c1-4-6-10(2)9-14-12-7-5-8-13-11(12)3/h5,7-8,10,14H,4,6,9H2,1-3H3/t10-/m0/s1
InChIKeyPRVDYNDIXLJJBM-JTQLQIEISA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine (CID 97044827) is 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine is CCC[C@H](C)CNc1cccnc1C.
What is the InChIKey of 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine?
The InChIKey is PRVDYNDIXLJJBM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-10(2)9-14-12-7-5-8-13-11(12)3/h5,7-8,10,14H,4,6,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine?
2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine has a molecular weight of 192.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine is sourced from PubChem (CID 97044827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).