4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine

C18H36N2O — CID 59456236

IUPAC4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESCCC(CNC1CCC(CC2CCC(N)CC2)CC1)OC
InChIInChI=1S/C18H36N2O/c1-3-18(21-2)13-20-17-10-6-15(7-11-17)12-14-4-8-16(19)9-5-14/h14-18,20H,3-13,19H2,1-2H3
InChIKeyAWNMJRRERHKQLV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.47
Rot. Bonds7

About 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 59456236) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID59456236
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESCCC(CNC1CCC(CC2CCC(N)CC2)CC1)OC
InChIInChI=1S/C18H36N2O/c1-3-18(21-2)13-20-17-10-6-15(7-11-17)12-14-4-8-16(19)9-5-14/h14-18,20H,3-13,19H2,1-2H3
InChIKeyAWNMJRRERHKQLV-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine (CID 59456236) is 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine is CCC(CNC1CCC(CC2CCC(N)CC2)CC1)OC.
What is the InChIKey of 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is AWNMJRRERHKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-18(21-2)13-20-17-10-6-15(7-11-17)12-14-4-8-16(19)9-5-14/h14-18,20H,3-13,19H2,1-2H3.
What are the key properties of 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxybutylamino)cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59456236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).