2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol

C12H27NO — CID 115137760

IUPAC2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(2)11(9-14)13(6)8-7-12(3,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyFQHLZANHYDLXNR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol

2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol (PubChem CID 115137760) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
PubChem CID115137760
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(2)11(9-14)13(6)8-7-12(3,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyFQHLZANHYDLXNR-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]-methylamino]-2-phenylpentan-2-ol
CID 14615620
(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
3-methyl-2-[methyl-[2-(4-propan-2-ylphenyl)ethyl]amino]butan-1-ol
CID 115137765
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol
CID 114357301
2-amino-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115152544
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol (CID 115137760) is 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)N(C)CCC(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol?
The InChIKey is FQHLZANHYDLXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)11(9-14)13(6)8-7-12(3,4)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol?
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).