3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine

C11H17N3 — CID 130964368

IUPAC3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
SMILESCc1cccnc1NC1CCC(N)C1
InChIInChI=1S/C11H17N3/c1-8-3-2-6-13-11(8)14-10-5-4-9(12)7-10/h2-3,6,9-10H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyGQINHBJQVBVEEF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.68
Rot. Bonds2

About 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine

3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 130964368) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
PubChem CID130964368
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
SMILESCc1cccnc1NC1CCC(N)C1
InChIInChI=1S/C11H17N3/c1-8-3-2-6-13-11(8)14-10-5-4-9(12)7-10/h2-3,6,9-10H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyGQINHBJQVBVEEF-UHFFFAOYSA-N
XLogP1.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine (CID 130964368) is 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine is Cc1cccnc1NC1CCC(N)C1.
What is the InChIKey of 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The InChIKey is GQINHBJQVBVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-3-2-6-13-11(8)14-10-5-4-9(12)7-10/h2-3,6,9-10H,4-5,7,12H2,1H3,(H,13,14).
What are the key properties of 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 130964368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).