[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'}

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Related Compounds

1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
CID 60710937
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553

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).