2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine

C15H29NO — CID 62457428

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-5-15(10-16-12(2)3)17-11-14-9-7-6-8-13(14)4/h6-7,12-16H,5,8-11H2,1-4H3
InChIKeyHQZBPURLFGWVKB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds7

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 62457428) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
PubChem CID62457428
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-5-15(10-16-12(2)3)17-11-14-9-7-6-8-13(14)4/h6-7,12-16H,5,8-11H2,1-4H3
InChIKeyHQZBPURLFGWVKB-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-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 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine (CID 62457428) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)OCC1CC=CCC1C.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is HQZBPURLFGWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-15(10-16-12(2)3)17-11-14-9-7-6-8-13(14)4/h6-7,12-16H,5,8-11H2,1-4H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62457428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).