2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol

C11H23NO — CID 114493611

IUPAC2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
SMILESCC1CC1CNCC(C)(O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(4,13)7-12-6-10-5-9(10)3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyCWFFTXWGKIYAJR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.64
Rot. Bonds5

About 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol

2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol (PubChem CID 114493611) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
PubChem CID114493611
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
SMILESCC1CC1CNCC(C)(O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(4,13)7-12-6-10-5-9(10)3/h8-10,12-13H,5-7H2,1-4H3
InChIKeyCWFFTXWGKIYAJR-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
CID 114493615
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol (CID 114493611) is 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol is CC1CC1CNCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol?
The InChIKey is CWFFTXWGKIYAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)11(4,13)7-12-6-10-5-9(10)3/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol?
2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol is sourced from PubChem (CID 114493611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).