[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol

C18H30N2O — CID 81399355

IUPAC[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
SMILESCN(CCCNCC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-20(17-9-4-2-5-10-17)14-8-13-19-15-18(16-21)11-6-3-7-12-18/h2,4-5,9-10,19,21H,3,6-8,11-16H2,1H3
InChIKeyMXILCTYHTRVBNN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.05
Rot. Bonds8

About [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol

[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol (PubChem CID 81399355) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
PubChem CID81399355
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
SMILESCN(CCCNCC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-20(17-9-4-2-5-10-17)14-8-13-19-15-18(16-21)11-6-3-7-12-18/h2,4-5,9-10,19,21H,3,6-8,11-16H2,1H3
InChIKeyMXILCTYHTRVBNN-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol 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 [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol (CID 81399355) is [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol is CN(CCCNCC1(CO)CCCCC1)c1ccccc1.
What is the InChIKey of [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol?
The InChIKey is MXILCTYHTRVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(17-9-4-2-5-10-17)14-8-13-19-15-18(16-21)11-6-3-7-12-18/h2,4-5,9-10,19,21H,3,6-8,11-16H2,1H3.
What are the key properties of [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol?
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol has a molecular weight of 290.45 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81399355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).