2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine

C12H19N3 — CID 104740135

IUPAC2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine
SMILESCC1(NCc2ncccc2N)CCCC1
InChIInChI=1S/C12H19N3/c1-12(6-2-3-7-12)15-9-11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9,13H2,1H3
InChIKeyKQMMAQGMPNRYER-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.09
Rot. Bonds3

About 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine

2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine (PubChem CID 104740135) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine
PubChem CID104740135
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine
SMILESCC1(NCc2ncccc2N)CCCC1
InChIInChI=1S/C12H19N3/c1-12(6-2-3-7-12)15-9-11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9,13H2,1H3
InChIKeyKQMMAQGMPNRYER-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine (CID 104740135) is 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine is CC1(NCc2ncccc2N)CCCC1.
What is the InChIKey of 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine?
The InChIKey is KQMMAQGMPNRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(6-2-3-7-12)15-9-11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9,13H2,1H3.
What are the key properties of 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine?
2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104740135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).