1-(2-methylbutan-2-ylamino)butan-2-ol

C9H21NO — CID 20673371

IUPAC1-(2-methylbutan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)(C)CC
InChIInChI=1S/C9H21NO/c1-5-8(11)7-10-9(3,4)6-2/h8,10-11H,5-7H2,1-4H3
InChIKeyXVQSFSSSXMJTPO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds5

About 1-(2-methylbutan-2-ylamino)butan-2-ol

1-(2-methylbutan-2-ylamino)butan-2-ol (PubChem CID 20673371) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(2-methylbutan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2-methylbutan-2-ylamino)butan-2-ol
PubChem CID20673371
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(2-methylbutan-2-ylamino)butan-2-ol
SMILESCCC(O)CNC(C)(C)CC
InChIInChI=1S/C9H21NO/c1-5-8(11)7-10-9(3,4)6-2/h8,10-11H,5-7H2,1-4H3
InChIKeyXVQSFSSSXMJTPO-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpentan-3-ylamino)butan-2-ol
CID 103766620
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1,1,1-trichloro-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 165445160
2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350
N-(2-fluoroethyl)-2-methylbutan-2-amine
CID 80611891
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
CID 106512750
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-ylamino)butan-2-ol?
The IUPAC name of 1-(2-methylbutan-2-ylamino)butan-2-ol (CID 20673371) is 1-(2-methylbutan-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(2-methylbutan-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(2-methylbutan-2-ylamino)butan-2-ol is CCC(O)CNC(C)(C)CC.
What is the InChIKey of 1-(2-methylbutan-2-ylamino)butan-2-ol?
The InChIKey is XVQSFSSSXMJTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(11)7-10-9(3,4)6-2/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-ylamino)butan-2-ol?
1-(2-methylbutan-2-ylamino)butan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-ylamino)butan-2-ol is sourced from PubChem (CID 20673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).