1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol

C14H29NO — CID 115716454

IUPAC1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
SMILESCC(NCC(O)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(14(2,3)4)15-10-13(16)12-8-6-5-7-9-12/h11-13,15-16H,5-10H2,1-4H3
InChIKeyRZTUTWHOBOAIQD-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol

1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol (PubChem CID 115716454) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
PubChem CID115716454
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
SMILESCC(NCC(O)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(14(2,3)4)15-10-13(16)12-8-6-5-7-9-12/h11-13,15-16H,5-10H2,1-4H3
InChIKeyRZTUTWHOBOAIQD-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-methylpentan-2-ylamino)ethanol
CID 115716443
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
1-cyclohexylpentane-1,4-diol
CID 11446772
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol?
The IUPAC name of 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol (CID 115716454) is 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol is CC(NCC(O)C1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol?
The InChIKey is RZTUTWHOBOAIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(14(2,3)4)15-10-13(16)12-8-6-5-7-9-12/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol?
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol is sourced from PubChem (CID 115716454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).