5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine

C13H25NO — CID 103392207

IUPAC5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine
SMILESCOCC(CCCN)=C1CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-11-5-3-6-12(9-11)13(10-15-2)7-4-8-14/h11H,3-10,14H2,1-2H3
InChIKeyYVWIJDHEVHVAEM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds5

About 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine

5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine (PubChem CID 103392207) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine
PubChem CID103392207
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine
SMILESCOCC(CCCN)=C1CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-11-5-3-6-12(9-11)13(10-15-2)7-4-8-14/h11H,3-10,14H2,1-2H3
InChIKeyYVWIJDHEVHVAEM-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(3,3-Difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 114225487
1,3,4,5,6,7,8,9-Octahydro-2-benzoxepin-8-ylmethanamine
CID 69497240
[(1S,4S)-2-(methoxymethyl)-4-methylcyclohex-2-en-1-yl]methanamine
CID 131971212
4-Cycloheptylidene-5-methoxypentan-1-amine
CID 103392066
(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
CID 103392092
4-(Methoxymethyl)-8-methylnon-4-en-1-amine
CID 103392093
(Z)-6-ethyl-4-(methoxymethyl)dec-4-en-1-amine
CID 103392098
4-Cyclohexylidene-5-methoxypentan-1-amine
CID 103392100
5-Cyclopentyl-4-(methoxymethyl)pent-4-en-1-amine
CID 103392139
5-Methoxy-4-(4-methylcyclohexylidene)pentan-1-amine
CID 103392143
4-(Methoxymethyl)-5-methylhex-4-en-1-amine
CID 103392156
4-(3,5-Dimethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392167

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine?
The IUPAC name of 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine (CID 103392207) is 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine.
What is the SMILES notation for 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine?
The canonical SMILES for 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine is COCC(CCCN)=C1CCCC(C)C1.
What is the InChIKey of 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine?
The InChIKey is YVWIJDHEVHVAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-5-3-6-12(9-11)13(10-15-2)7-4-8-14/h11H,3-10,14H2,1-2H3.
What are the key properties of 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine?
5-methoxy-4-(3-methylcyclohexylidene)pentan-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 5-methoxy-4-(3-methylcyclohexylidene)pentan-1-amine is sourced from PubChem (CID 103392207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).