N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine

C18H35NO — CID 107009746

IUPACN-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-5-7-8-9-10-11-17(19-6-2)18(20-4)14-12-16(3)13-15-18/h5,16-17,19H,1,6-15H2,2-4H3
InChIKeyZVDBRINQCIECBN-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.70
Rot. Bonds10

About N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine (PubChem CID 107009746) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
PubChem CID107009746
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-5-7-8-9-10-11-17(19-6-2)18(20-4)14-12-16(3)13-15-18/h5,16-17,19H,1,6-15H2,2-4H3
InChIKeyZVDBRINQCIECBN-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
1-(1-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107009396
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine (CID 107009746) is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine is C=CCCCCCC(NCC)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine?
The InChIKey is ZVDBRINQCIECBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-7-8-9-10-11-17(19-6-2)18(20-4)14-12-16(3)13-15-18/h5,16-17,19H,1,6-15H2,2-4H3.
What are the key properties of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine?
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine is sourced from PubChem (CID 107009746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).