4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine

C14H27NO — CID 103392169

IUPAC4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine
SMILESCCC1CCC(=C(CCCN)COC)CC1
InChIInChI=1S/C14H27NO/c1-3-12-6-8-13(9-7-12)14(11-16-2)5-4-10-15/h12H,3-11,15H2,1-2H3/b14-13-
InChIKeyXRNNXFUVEKMJCC-YPKPFQOOSA-N
MW225.38 g/mol
LogP3.27
Rot. Bonds6

About 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine

4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine (PubChem CID 103392169) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine
PubChem CID103392169
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine
SMILESCCC1CCC(=C(CCCN)COC)CC1
InChIInChI=1S/C14H27NO/c1-3-12-6-8-13(9-7-12)14(11-16-2)5-4-10-15/h12H,3-11,15H2,1-2H3/b14-13-
InChIKeyXRNNXFUVEKMJCC-YPKPFQOOSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.27
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
(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-(3,5-Dimethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392167
4-(3,4-Dimethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392175
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-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine?
The IUPAC name of 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine (CID 103392169) is 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine?
The canonical SMILES for 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine is CCC1CCC(=C(CCCN)COC)CC1.
What is the InChIKey of 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine?
The InChIKey is XRNNXFUVEKMJCC-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12-6-8-13(9-7-12)14(11-16-2)5-4-10-15/h12H,3-11,15H2,1-2H3/b14-13-.
What are the key properties of 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine?
4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexylidene)-5-methoxypentan-1-amine is sourced from PubChem (CID 103392169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).