3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine

C12H24N2 — CID 79461153

IUPAC3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
SMILESCCC(CC1CC1)NC1CCC(N)C1
InChIInChI=1S/C12H24N2/c1-2-11(7-9-3-4-9)14-12-6-5-10(13)8-12/h9-12,14H,2-8,13H2,1H3
InChIKeyOXOQHOWRUDFYJJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds5

About 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine

3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine (PubChem CID 79461153) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
PubChem CID79461153
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
SMILESCCC(CC1CC1)NC1CCC(N)C1
InChIInChI=1S/C12H24N2/c1-2-11(7-9-3-4-9)14-12-6-5-10(13)8-12/h9-12,14H,2-8,13H2,1H3
InChIKeyOXOQHOWRUDFYJJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine (CID 79461153) is 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine is CCC(CC1CC1)NC1CCC(N)C1.
What is the InChIKey of 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine?
The InChIKey is OXOQHOWRUDFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-11(7-9-3-4-9)14-12-6-5-10(13)8-12/h9-12,14H,2-8,13H2,1H3.
What are the key properties of 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine?
3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).