3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine

C12H18N2 — CID 116538767

IUPAC3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine
SMILESCC1(Cc2ccncc2)CCC(N)C1
InChIInChI=1S/C12H18N2/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9,13H2,1H3
InChIKeyJKLIVSPAOFICDE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.14
Rot. Bonds2

About 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine

3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine (PubChem CID 116538767) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine
PubChem CID116538767
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine
SMILESCC1(Cc2ccncc2)CCC(N)C1
InChIInChI=1S/C12H18N2/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9,13H2,1H3
InChIKeyJKLIVSPAOFICDE-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine (CID 116538767) is 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine is CC1(Cc2ccncc2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is JKLIVSPAOFICDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9,13H2,1H3.
What are the key properties of 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine?
3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 116538767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).