4-cyclohexylidene-5-methoxypentan-1-amine

C12H23NO — CID 103392100

IUPAC4-cyclohexylidene-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-14-10-12(8-5-9-13)11-6-3-2-4-7-11/h2-10,13H2,1H3
InChIKeyIBBPGEZZVQZOSC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds5

About 4-cyclohexylidene-5-methoxypentan-1-amine

4-cyclohexylidene-5-methoxypentan-1-amine (PubChem CID 103392100) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-cyclohexylidene-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-cyclohexylidene-5-methoxypentan-1-amine
PubChem CID103392100
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-cyclohexylidene-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-14-10-12(8-5-9-13)11-6-3-2-4-7-11/h2-10,13H2,1H3
InChIKeyIBBPGEZZVQZOSC-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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

4-Cycloheptylidene-5-methoxypentan-1-amine
CID 103392066
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
4-(Methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(Z)-4-(methoxymethyl)dec-4-en-1-amine
CID 103392069
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070
(Z)-4-(methoxymethyl)dodec-4-en-1-amine
CID 103392071
(Z)-4-(methoxymethyl)-6-methylideneoct-4-en-1-amine
CID 103392077
(Z)-4-(methoxymethyl)oct-4-en-1-amine
CID 103392097
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
4-(Methoxymethyl)-6-methylhepta-4,6-dien-1-amine
CID 103392102
5-Methoxy-4-(oxolan-3-ylidene)pentan-1-amine
CID 103392117
(Z)-4-(methoxymethyl)hept-4-en-1-amine
CID 103392129

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylidene-5-methoxypentan-1-amine?
The IUPAC name of 4-cyclohexylidene-5-methoxypentan-1-amine (CID 103392100) is 4-cyclohexylidene-5-methoxypentan-1-amine.
What is the SMILES notation for 4-cyclohexylidene-5-methoxypentan-1-amine?
The canonical SMILES for 4-cyclohexylidene-5-methoxypentan-1-amine is COCC(CCCN)=C1CCCCC1.
What is the InChIKey of 4-cyclohexylidene-5-methoxypentan-1-amine?
The InChIKey is IBBPGEZZVQZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-10-12(8-5-9-13)11-6-3-2-4-7-11/h2-10,13H2,1H3.
What are the key properties of 4-cyclohexylidene-5-methoxypentan-1-amine?
4-cyclohexylidene-5-methoxypentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidene-5-methoxypentan-1-amine is sourced from PubChem (CID 103392100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).