N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine

C13H25N — CID 67454129

IUPACN,N-bis(2-methylpropyl)cyclopent-3-en-1-amine
SMILESCC(C)CN(CC(C)C)C1CC=CC1
InChIInChI=1S/C13H25N/c1-11(2)9-14(10-12(3)4)13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeySIMNROQRGKSDNG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.32
Rot. Bonds5

About N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine

N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine (PubChem CID 67454129) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)cyclopent-3-en-1-amine
PubChem CID67454129
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-bis(2-methylpropyl)cyclopent-3-en-1-amine
SMILESCC(C)CN(CC(C)C)C1CC=CC1
InChIInChI=1S/C13H25N/c1-11(2)9-14(10-12(3)4)13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeySIMNROQRGKSDNG-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
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,N-bis(2-methylpropyl)cyclopent-3-en-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine (CID 67454129) is N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine is CC(C)CN(CC(C)C)C1CC=CC1.
What is the InChIKey of N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine?
The InChIKey is SIMNROQRGKSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)9-14(10-12(3)4)13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine?
N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 67454129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).