4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine

C14H27NO — CID 103392175

IUPAC4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCC(C)C(C)C1
InChIInChI=1S/C14H27NO/c1-11-6-7-13(9-12(11)2)14(10-16-3)5-4-8-15/h11-12H,4-10,15H2,1-3H3
InChIKeyDRQLSLUUCAXZLP-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.12
Rot. Bonds5

About 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine

4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine (PubChem CID 103392175) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine
PubChem CID103392175
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCC(C)C(C)C1
InChIInChI=1S/C14H27NO/c1-11-6-7-13(9-12(11)2)14(10-16-3)5-4-8-15/h11-12H,4-10,15H2,1-3H3
InChIKeyDRQLSLUUCAXZLP-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,4,5,6,7,8,9-Octahydro-2-benzoxepin-8-ylmethanamine
CID 69497240
(Z)-6-ethyl-4-(methoxymethyl)dec-4-en-1-amine
CID 103392098
4-Cyclohexylidene-5-methoxypentan-1-amine
CID 103392100
5-Methoxy-4-(4-methylcyclohexylidene)pentan-1-amine
CID 103392143
4-(3,5-Dimethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392167
4-(4-Ethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392169
5-Cyclohexyl-4-(methoxymethyl)pent-4-en-1-amine
CID 103392185
4-(2-Ethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392195
5-Methoxy-4-(3-methylcyclohexylidene)pentan-1-amine
CID 103392207
4-(3-Ethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392223

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine?
The IUPAC name of 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine (CID 103392175) is 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine?
The canonical SMILES for 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine is COCC(CCCN)=C1CCC(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine?
The InChIKey is DRQLSLUUCAXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-6-7-13(9-12(11)2)14(10-16-3)5-4-8-15/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine?
4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexylidene)-5-methoxypentan-1-amine is sourced from PubChem (CID 103392175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).