2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol

C12H25NO — CID 115216597

IUPAC2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
SMILESCC(C)(CNCCO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyOTHUOCZTPOINAX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol

2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol (PubChem CID 115216597) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
PubChem CID115216597
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
SMILESCC(C)(CNCCO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyOTHUOCZTPOINAX-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210522
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol?
The IUPAC name of 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol (CID 115216597) is 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol.
What is the SMILES notation for 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol?
The canonical SMILES for 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol is CC(C)(CNCCO)C1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol?
The InChIKey is OTHUOCZTPOINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol?
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol is sourced from PubChem (CID 115216597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).