2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol

C14H27NO — CID 115977507

IUPAC2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
SMILESCC1CCCC(CNC2CC(O)C2(C)C)C1
InChIInChI=1S/C14H27NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3
InChIKeyIWHHTGPPYKENIH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.56
Rot. Bonds3

About 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol (PubChem CID 115977507) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
PubChem CID115977507
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
SMILESCC1CCCC(CNC2CC(O)C2(C)C)C1
InChIInChI=1S/C14H27NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3
InChIKeyIWHHTGPPYKENIH-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186
2,2-dimethyl-3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 114628965
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103883975
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
CID 115881224
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 104589902

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol (CID 115977507) is 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol is CC1CCCC(CNC2CC(O)C2(C)C)C1.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol?
The InChIKey is IWHHTGPPYKENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 115977507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).