N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine

C12H21N — CID 104531307

IUPACN-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NC2CC=CC2)C1
InChIInChI=1S/C12H21N/c1-12(2)8-7-11(9-12)13-10-5-3-4-6-10/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyCQYHAAYJXHLMHK-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.87
Rot. Bonds2

About N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine

N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine (PubChem CID 104531307) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
PubChem CID104531307
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NC2CC=CC2)C1
InChIInChI=1S/C12H21N/c1-12(2)8-7-11(9-12)13-10-5-3-4-6-10/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyCQYHAAYJXHLMHK-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine (CID 104531307) is N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NC2CC=CC2)C1.
What is the InChIKey of N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CQYHAAYJXHLMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)8-7-11(9-12)13-10-5-3-4-6-10/h3-4,10-11,13H,5-9H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine?
N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104531307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).