2-(1-amino-4,4-dimethylcyclohexyl)ethanol

C10H21NO — CID 65239801

IUPAC2-(1-amino-4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(N)(CCO)CC1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-10(11,6-4-9)7-8-12/h12H,3-8,11H2,1-2H3
InChIKeyXVPNLMWBUJASFS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.67
Rot. Bonds2

About 2-(1-amino-4,4-dimethylcyclohexyl)ethanol

2-(1-amino-4,4-dimethylcyclohexyl)ethanol (PubChem CID 65239801) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-amino-4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(1-amino-4,4-dimethylcyclohexyl)ethanol
PubChem CID65239801
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-amino-4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(N)(CCO)CC1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-10(11,6-4-9)7-8-12/h12H,3-8,11H2,1-2H3
InChIKeyXVPNLMWBUJASFS-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Amino-3,3,5-trimethylcyclohexyl)methanol
CID 54594611
(1-Amino-3,3-dimethylcyclohexyl)methanol hydrochloride
CID 126796282
Rac-((1s,4r)-1-amino-4-ethylcyclohexyl)methanol hydrochloride
CID 146049827
2-(1-Amino-4,4-dimethylcyclohexyl)ethan-1-ol hydrochloride
CID 165995347
[(1s,4r)-1-Amino-4-ethylcyclohexyl]methanol
CID 61055822
2-[1-Amino-4-(trifluoromethyl)cyclohexyl]ethanol
CID 65239790
2-[1-Amino-4-(difluoromethyl)cyclohexyl]ethan-1-ol
CID 165588161
1-(1-Amino-4-methylcyclohexyl)-3-fluoropropan-2-ol
CID 165595903
2-(1-Amino-4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 165689632
3-Amino-3-methylnonan-1-ol
CID 12198443
3-Amino-3-butylheptan-1-ol
CID 16205222
1-(1-Aminocyclohexyl)propan-2-ol
CID 22364173

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(1-amino-4,4-dimethylcyclohexyl)ethanol (CID 65239801) is 2-(1-amino-4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(1-amino-4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(1-amino-4,4-dimethylcyclohexyl)ethanol is CC1(C)CCC(N)(CCO)CC1.
What is the InChIKey of 2-(1-amino-4,4-dimethylcyclohexyl)ethanol?
The InChIKey is XVPNLMWBUJASFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)3-5-10(11,6-4-9)7-8-12/h12H,3-8,11H2,1-2H3.
What are the key properties of 2-(1-amino-4,4-dimethylcyclohexyl)ethanol?
2-(1-amino-4,4-dimethylcyclohexyl)ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65239801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).