5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine

C13H25NO — CID 56632497

IUPAC5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine
SMILESCOCC(N)C=CC(C1CC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-13(2,3)12(10-5-6-10)8-7-11(14)9-15-4/h7-8,10-12H,5-6,9,14H2,1-4H3
InChIKeyHCZNJBPYVMZZQN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.59
Rot. Bonds5

About 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine

5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine (PubChem CID 56632497) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine
PubChem CID56632497
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine
SMILESCOCC(N)C=CC(C1CC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-13(2,3)12(10-5-6-10)8-7-11(14)9-15-4/h7-8,10-12H,5-6,9,14H2,1-4H3
InChIKeyHCZNJBPYVMZZQN-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-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 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine?
The IUPAC name of 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine (CID 56632497) is 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine.
What is the SMILES notation for 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine?
The canonical SMILES for 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine is COCC(N)C=CC(C1CC1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine?
The InChIKey is HCZNJBPYVMZZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12(10-5-6-10)8-7-11(14)9-15-4/h7-8,10-12H,5-6,9,14H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine?
5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methoxy-6,6-dimethylhept-3-en-2-amine is sourced from PubChem (CID 56632497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).