4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine

C13H25NO — CID 151719316

IUPAC4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
SMILESCOC1(C)CC=CC(C)(CCCCN)C1
InChIInChI=1S/C13H25NO/c1-12(7-4-5-10-14)8-6-9-13(2,11-12)15-3/h6,8H,4-5,7,9-11,14H2,1-3H3
InChIKeyRIFSAQFRBYPZSA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds5

About 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine

4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine (PubChem CID 151719316) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
PubChem CID151719316
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
SMILESCOC1(C)CC=CC(C)(CCCCN)C1
InChIInChI=1S/C13H25NO/c1-12(7-4-5-10-14)8-6-9-13(2,11-12)15-3/h6,8H,4-5,7,9-11,14H2,1-3H3
InChIKeyRIFSAQFRBYPZSA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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'}

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Related Compounds

(Z,4R,5S,6S,7R,8S)-8-(2-methoxybutan-2-yl)-3,3,5,6-tetramethyl-7-[(Z)-prop-1-enyl]dodec-9-en-4-amine
CID 173847222
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
1-(Cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
CID 103036047
3-(3-Methoxy-3-methylbutyl)cyclohex-2-en-1-amine
CID 103037569
3-(3-Methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 103037570
3-(4-Methoxybutyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 104650087

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine (CID 151719316) is 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine is COC1(C)CC=CC(C)(CCCCN)C1.
What is the InChIKey of 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine?
The InChIKey is RIFSAQFRBYPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(7-4-5-10-14)8-6-9-13(2,11-12)15-3/h6,8H,4-5,7,9-11,14H2,1-3H3.
What are the key properties of 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine?
4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine is sourced from PubChem (CID 151719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).