4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C18H35NO — CID 107428533

IUPAC4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)CC1CCCC(NCC2(O)CCC(C)CC2)C1
InChIInChI=1S/C18H35NO/c1-14(2)11-16-5-4-6-17(12-16)19-13-18(20)9-7-15(3)8-10-18/h14-17,19-20H,4-13H2,1-3H3
InChIKeyHQWCXICBMSETIB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.12
Rot. Bonds5

About 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 107428533) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID107428533
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)CC1CCCC(NCC2(O)CCC(C)CC2)C1
InChIInChI=1S/C18H35NO/c1-14(2)11-16-5-4-6-17(12-16)19-13-18(20)9-7-15(3)8-10-18/h14-17,19-20H,4-13H2,1-3H3
InChIKeyHQWCXICBMSETIB-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(4-Methylpiperidin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756319
1-(4-Ethylpiperidin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756712
1-[1-(Ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756713
4,4-Dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115300
4-Ethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115933
4-Ethyl-1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115988
4-Ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65116141
Cyclohexanol, 1-[[(1,4-dimethylpentyl)amino]methyl]-4,4-dimethyl-
CID 65116794
4,4-Dimethyl-1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65116887
4,4-Dimethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65117338
4-Methyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65117367
4-Ethyl-1-[(2-fluoroethylamino)methyl]cyclohexan-1-ol
CID 80694714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 107428533) is 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is CC(C)CC1CCCC(NCC2(O)CCC(C)CC2)C1.
What is the InChIKey of 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HQWCXICBMSETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14(2)11-16-5-4-6-17(12-16)19-13-18(20)9-7-15(3)8-10-18/h14-17,19-20H,4-13H2,1-3H3.
What are the key properties of 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107428533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).