2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol

C12H27NO — CID 115895182

IUPAC2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-12(6,9-14)8-13-10(2)11(3,4)5/h10,13-14H,7-9H2,1-6H3
InChIKeyWNMBPVGUTCRKCB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol

2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol (PubChem CID 115895182) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
PubChem CID115895182
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-12(6,9-14)8-13-10(2)11(3,4)5/h10,13-14H,7-9H2,1-6H3
InChIKeyWNMBPVGUTCRKCB-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(but-3-yn-2-ylamino)methyl]-2-methylbutan-1-ol
CID 114415059
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
CID 81413077
2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895208
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419088
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81419325
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
2-ethyl-2-methylpentane-1,4-diol
CID 57298661
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol (CID 115895182) is 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C)C(C)(C)C.
What is the InChIKey of 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is WNMBPVGUTCRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-12(6,9-14)8-13-10(2)11(3,4)5/h10,13-14H,7-9H2,1-6H3.
What are the key properties of 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol?
2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 115895182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).