N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine

C14H25N — CID 73110433

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine
SMILESCCCCNCC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H25N/c1-4-5-8-15-10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13,15H,4-5,7-10H2,1-3H3
InChIKeyWRNULBBQDLJHRU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.37
Rot. Bonds5

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine (PubChem CID 73110433) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine
PubChem CID73110433
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine
SMILESCCCCNCC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H25N/c1-4-5-8-15-10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13,15H,4-5,7-10H2,1-3H3
InChIKeyWRNULBBQDLJHRU-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine (CID 73110433) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine is CCCCNCC1=CCC2CC1C2(C)C.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine?
The InChIKey is WRNULBBQDLJHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-8-15-10-11-6-7-12-9-13(11)14(12,2)3/h6,12-13,15H,4-5,7-10H2,1-3H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine is sourced from PubChem (CID 73110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).