2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol

C11H25NO — CID 80559417

IUPAC2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCC(C)(O)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)7-12-8-11(6,13)10(3,4)5/h9,12-13H,7-8H2,1-6H3
InChIKeyYNSPGHZTAFTNOO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds4

About 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol

2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol (PubChem CID 80559417) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
PubChem CID80559417
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCC(C)(O)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)7-12-8-11(6,13)10(3,4)5/h9,12-13H,7-8H2,1-6H3
InChIKeyYNSPGHZTAFTNOO-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
CID 79178435
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
CID 66037290
2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
CID 114997755
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 90693436
2-methyl-1-(2-methylpropylamino)hex-5-yn-2-ol
CID 66037293
CID 175939227
CID 175939227
1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66040374
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol (CID 80559417) is 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol is CC(C)CNCC(C)(O)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol?
The InChIKey is YNSPGHZTAFTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)7-12-8-11(6,13)10(3,4)5/h9,12-13H,7-8H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol?
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 80559417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).