6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine

C12H18N2 — CID 97357973

IUPAC6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
SMILESCc1ccc(N[C@@H]2CC[C@H](C)C2)cn1
InChIInChI=1S/C12H18N2/c1-9-3-5-11(7-9)14-12-6-4-10(2)13-8-12/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyURVSAJWMKYBAKZ-GXSJLCMTSA-N
MW190.29 g/mol
LogP2.99
Rot. Bonds2

About 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine

6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine (PubChem CID 97357973) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
PubChem CID97357973
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
SMILESCc1ccc(N[C@@H]2CC[C@H](C)C2)cn1
InChIInChI=1S/C12H18N2/c1-9-3-5-11(7-9)14-12-6-4-10(2)13-8-12/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyURVSAJWMKYBAKZ-GXSJLCMTSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine (CID 97357973) is 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine is Cc1ccc(N[C@@H]2CC[C@H](C)C2)cn1.
What is the InChIKey of 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine?
The InChIKey is URVSAJWMKYBAKZ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-3-5-11(7-9)14-12-6-4-10(2)13-8-12/h4,6,8-9,11,14H,3,5,7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine?
6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine is sourced from PubChem (CID 97357973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).