3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol

C17H33NO — CID 114629186

IUPAC3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(C)C1CCC(CNC2CC(O)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)13-8-6-12(7-9-13)11-18-14-10-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyRLVMUEWRVMEKOU-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.59
Rot. Bonds3

About 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629186) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629186
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(C)C1CCC(CNC2CC(O)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)13-8-6-12(7-9-13)11-18-14-10-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3
InChIKeyRLVMUEWRVMEKOU-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 114628965
2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
CID 115977507
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
CID 115977681
2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
CID 114629404
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629186) is 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol is CC(C)(C)C1CCC(CNC2CC(O)C2(C)C)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RLVMUEWRVMEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)13-8-6-12(7-9-13)11-18-14-10-15(19)17(14,4)5/h12-15,18-19H,6-11H2,1-5H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).