4-cycloheptylidene-5-methoxypentan-1-amine

C13H25NO — CID 103392066

IUPAC4-cycloheptylidene-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-15-11-13(9-6-10-14)12-7-4-2-3-5-8-12/h2-11,14H2,1H3
InChIKeyAXZRORHHIPKDDR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.02
Rot. Bonds5

About 4-cycloheptylidene-5-methoxypentan-1-amine

4-cycloheptylidene-5-methoxypentan-1-amine (PubChem CID 103392066) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-cycloheptylidene-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-cycloheptylidene-5-methoxypentan-1-amine
PubChem CID103392066
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-cycloheptylidene-5-methoxypentan-1-amine
SMILESCOCC(CCCN)=C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-15-11-13(9-6-10-14)12-7-4-2-3-5-8-12/h2-11,14H2,1H3
InChIKeyAXZRORHHIPKDDR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-(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)oct-4-en-1-amine
CID 103392097
4-Cyclohexylidene-5-methoxypentan-1-amine
CID 103392100
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
(Z)-4-(methoxymethyl)hept-4-en-1-amine
CID 103392129
5-Methoxy-4-(4-methylcyclohexylidene)pentan-1-amine
CID 103392143
6-Methoxy-4-(methoxymethyl)-5-methylhex-4-en-1-amine
CID 103392147
4-(Methoxymethyl)-5-methylhex-4-en-1-amine
CID 103392156

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylidene-5-methoxypentan-1-amine?
The IUPAC name of 4-cycloheptylidene-5-methoxypentan-1-amine (CID 103392066) is 4-cycloheptylidene-5-methoxypentan-1-amine.
What is the SMILES notation for 4-cycloheptylidene-5-methoxypentan-1-amine?
The canonical SMILES for 4-cycloheptylidene-5-methoxypentan-1-amine is COCC(CCCN)=C1CCCCCC1.
What is the InChIKey of 4-cycloheptylidene-5-methoxypentan-1-amine?
The InChIKey is AXZRORHHIPKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-15-11-13(9-6-10-14)12-7-4-2-3-5-8-12/h2-11,14H2,1H3.
What are the key properties of 4-cycloheptylidene-5-methoxypentan-1-amine?
4-cycloheptylidene-5-methoxypentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylidene-5-methoxypentan-1-amine is sourced from PubChem (CID 103392066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).