2-(2,2-dimethylpropylamino)butan-1-ol

C9H21NO — CID 61323905

IUPAC2-(2,2-dimethylpropylamino)butan-1-ol
SMILESCCC(CO)NCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-11)10-7-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyHJOAWUTVCFZJKW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)butan-1-ol

2-(2,2-dimethylpropylamino)butan-1-ol (PubChem CID 61323905) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)butan-1-ol
PubChem CID61323905
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(2,2-dimethylpropylamino)butan-1-ol
SMILESCCC(CO)NCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-11)10-7-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyHJOAWUTVCFZJKW-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
CID 103924317
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
CID 101136942
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2-(4,4,4-trifluorobutylamino)butan-1-ol
CID 115513538
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
CID 126512717
2-(decylamino)butan-1-ol
CID 60668820
N-(2,2-dimethylpropyl)-3-ethylpentan-2-amine
CID 63842619
3-[(pentan-3-ylamino)methyl]pentan-3-ol
CID 65105308
2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 156729799
2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)butan-1-ol?
The IUPAC name of 2-(2,2-dimethylpropylamino)butan-1-ol (CID 61323905) is 2-(2,2-dimethylpropylamino)butan-1-ol.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)butan-1-ol?
The canonical SMILES for 2-(2,2-dimethylpropylamino)butan-1-ol is CCC(CO)NCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylamino)butan-1-ol?
The InChIKey is HJOAWUTVCFZJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(6-11)10-7-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropylamino)butan-1-ol?
2-(2,2-dimethylpropylamino)butan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)butan-1-ol is sourced from PubChem (CID 61323905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).