N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine

C14H27N — CID 103966111

IUPACN-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESC=CCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h6,12,15H,1,7-11H2,2-5H3
InChIKeyRTJDFUVKNJOLRN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds4

About N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine

N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103966111) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103966111
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESC=CCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h6,12,15H,1,7-11H2,2-5H3
InChIKeyRTJDFUVKNJOLRN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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-but-3-enyl-3,3,5,5-tetramethylcyclohexan-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-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103966111) is N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine is C=CCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is RTJDFUVKNJOLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h6,12,15H,1,7-11H2,2-5H3.
What are the key properties of N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine?
N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103966111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).