2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol

C17H35NO — CID 64736657

IUPAC2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCCCN(CCCC)CC1C(C)CC(C)CC1O
InChIInChI=1S/C17H35NO/c1-5-7-9-18(10-8-6-2)13-16-15(4)11-14(3)12-17(16)19/h14-17,19H,5-13H2,1-4H3
InChIKeyYPCFSJSXYNXROQ-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.93
Rot. Bonds8

About 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol

2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64736657) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64736657
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCCCN(CCCC)CC1C(C)CC(C)CC1O
InChIInChI=1S/C17H35NO/c1-5-7-9-18(10-8-6-2)13-16-15(4)11-14(3)12-17(16)19/h14-17,19H,5-13H2,1-4H3
InChIKeyYPCFSJSXYNXROQ-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 107871197
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
CID 64751671
3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79491996
3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
CID 65486914
3,5-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64736070
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
5-[(dibutylamino)methyl]pyrrolidin-3-ol
CID 66056350

Frequently Asked Questions

What is the IUPAC name of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol (CID 64736657) is 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol is CCCCN(CCCC)CC1C(C)CC(C)CC1O.
What is the InChIKey of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is YPCFSJSXYNXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-9-18(10-8-6-2)13-16-15(4)11-14(3)12-17(16)19/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol?
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64736657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).