N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine

C13H25NO — CID 62456470

IUPACN-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
SMILESCNCCCCOCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-5-9-14-2/h3-4,12-14H,5-11H2,1-2H3
InChIKeyLNVZIWZHGYEKPT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds7

About N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine

N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine (PubChem CID 62456470) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
PubChem CID62456470
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
SMILESCNCCCCOCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-5-9-14-2/h3-4,12-14H,5-11H2,1-2H3
InChIKeyLNVZIWZHGYEKPT-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]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-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The IUPAC name of N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine (CID 62456470) is N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine.
What is the SMILES notation for N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The canonical SMILES for N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine is CNCCCCOCC1CC=CCC1C.
What is the InChIKey of N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The InChIKey is LNVZIWZHGYEKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-5-9-14-2/h3-4,12-14H,5-11H2,1-2H3.
What are the key properties of N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine is sourced from PubChem (CID 62456470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).