3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol

C12H27NO — CID 115252113

IUPAC3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
SMILESCC(C)CCN(C)CC(CO)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-7-13(5)8-12(9-14)11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyIEJVEQCPSNWFEA-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.23
Rot. Bonds7

About 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol

3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol (PubChem CID 115252113) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
PubChem CID115252113
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
SMILESCC(C)CCN(C)CC(CO)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-7-13(5)8-12(9-14)11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyIEJVEQCPSNWFEA-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[amino(methyl)amino]methyl]-3-methylbutan-1-ol
CID 105428978
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827204
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
1-(methylamino)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61429791
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
CID 115873167
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
3-[[2-hydroxyethyl(methyl)amino]methyl]-4-methylpentanal
CID 163381035
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol (CID 115252113) is 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol is CC(C)CCN(C)CC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol?
The InChIKey is IEJVEQCPSNWFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)6-7-13(5)8-12(9-14)11(3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol?
3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115252113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).