2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol

C12H25NO — CID 115882663

IUPAC2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCCC(N(C)C(C)(C)CO)C1
InChIInChI=1S/C12H25NO/c1-10-6-5-7-11(8-10)13(4)12(2,3)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyATUSMZKONQCHRL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol

2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol (PubChem CID 115882663) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
PubChem CID115882663
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCCC(N(C)C(C)(C)CO)C1
InChIInChI=1S/C12H25NO/c1-10-6-5-7-11(8-10)13(4)12(2,3)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyATUSMZKONQCHRL-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
CID 115927687
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827314
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]cyclopentan-1-ol
CID 115773230
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
CID 62535497
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
3-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 79619328
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
2-(cyclopropylamino)-2-methyl-5-[methyl-(3-methylcyclohexyl)amino]pentan-1-ol
CID 64827706
2-[cyclobutyl-(3-methylcyclohexyl)amino]ethanol
CID 102870175
2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 64917822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol (CID 115882663) is 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol is CC1CCCC(N(C)C(C)(C)CO)C1.
What is the InChIKey of 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol?
The InChIKey is ATUSMZKONQCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-6-5-7-11(8-10)13(4)12(2,3)9-14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol?
2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 115882663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).