2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol

C17H36N2O — CID 66455597

IUPAC2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
SMILESCCCNC(C)C(C)(C)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-15(2)17(3,4)14-19(12-13-20)16-9-7-6-8-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyUXGWQTMTXDTXGI-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds9

About 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol

2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol (PubChem CID 66455597) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
PubChem CID66455597
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
SMILESCCCNC(C)C(C)(C)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-15(2)17(3,4)14-19(12-13-20)16-9-7-6-8-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyUXGWQTMTXDTXGI-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 102870900
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
CID 114274826
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 62622852
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine
CID 130215975

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol (CID 66455597) is 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol is CCCNC(C)C(C)(C)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
The InChIKey is UXGWQTMTXDTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-11-18-15(2)17(3,4)14-19(12-13-20)16-9-7-6-8-10-16/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol?
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol is sourced from PubChem (CID 66455597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).