3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol

C9H21NO — CID 61324367

IUPAC3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10-8(6-11)9(3,4)5/h7-8,10-11H,6H2,1-5H3
InChIKeyQEZJEGXZDFOBMT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds3

About 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol

3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 61324367) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID61324367
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10-8(6-11)9(3,4)5/h7-8,10-11H,6H2,1-5H3
InChIKeyQEZJEGXZDFOBMT-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-(hydroxyamino)-3,3-dimethylbutan-1-ol
CID 74975814
(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
CID 166809211
(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol
CID 56859290
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
1-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]piperidine-2,6-dione
CID 59677773
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide
CID 106349673
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3,3-dimethylbutan-1-ol;2,2,2-trifluoroacetic acid
CID 154885625
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol (CID 61324367) is 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is QEZJEGXZDFOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)10-8(6-11)9(3,4)5/h7-8,10-11H,6H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol?
3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 61324367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).