2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol

C12H25NO — CID 102676970

IUPAC2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
SMILESCC(C)(C)CCN(CCO)C1CCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)7-8-13(9-10-14)11-5-4-6-11/h11,14H,4-10H2,1-3H3
InChIKeyVBJTYMCTDMPVGE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds5

About 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol

2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol (PubChem CID 102676970) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
PubChem CID102676970
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
SMILESCC(C)(C)CCN(CCO)C1CCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)7-8-13(9-10-14)11-5-4-6-11/h11,14H,4-10H2,1-3H3
InChIKeyVBJTYMCTDMPVGE-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
CID 102848297
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
CID 62260812
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol (CID 102676970) is 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol is CC(C)(C)CCN(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol?
The InChIKey is VBJTYMCTDMPVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)7-8-13(9-10-14)11-5-4-6-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol?
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol is sourced from PubChem (CID 102676970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).