1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol

C14H29NO — CID 115716443

IUPAC1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-11(2)12(3)15-10-14(16)13-8-6-5-7-9-13/h11-16H,4-10H2,1-3H3
InChIKeyOLQVFDWFKXDYLM-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol

1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol (PubChem CID 115716443) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
PubChem CID115716443
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-11(2)12(3)15-10-14(16)13-8-6-5-7-9-13/h11-16H,4-10H2,1-3H3
InChIKeyOLQVFDWFKXDYLM-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 70048759
2-(cyclooctylamino)-3-methylpentan-1-ol
CID 115891669

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol?
The IUPAC name of 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol (CID 115716443) is 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol is CCC(C)C(C)NCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol?
The InChIKey is OLQVFDWFKXDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-11(2)12(3)15-10-14(16)13-8-6-5-7-9-13/h11-16H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol?
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol is sourced from PubChem (CID 115716443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).