3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol

C13H27NO — CID 115881296

IUPAC3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
SMILESCC1CCCC(CNC(C)(C)C(C)O)C1
InChIInChI=1S/C13H27NO/c1-10-6-5-7-12(8-10)9-14-13(3,4)11(2)15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyDUXWFEINRXPONG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds4

About 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol

3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol (PubChem CID 115881296) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
PubChem CID115881296
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
SMILESCC1CCCC(CNC(C)(C)C(C)O)C1
InChIInChI=1S/C13H27NO/c1-10-6-5-7-12(8-10)9-14-13(3,4)11(2)15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyDUXWFEINRXPONG-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 115881256
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol (CID 115881296) is 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol is CC1CCCC(CNC(C)(C)C(C)O)C1.
What is the InChIKey of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol?
The InChIKey is DUXWFEINRXPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-6-5-7-12(8-10)9-14-13(3,4)11(2)15/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol?
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol is sourced from PubChem (CID 115881296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).