2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol

C9H19NO — CID 134331014

IUPAC2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol
SMILESC=C(C)C(C)(C)NC(C)CO
InChIInChI=1S/C9H19NO/c1-7(2)9(4,5)10-8(3)6-11/h8,10-11H,1,6H2,2-5H3
InChIKeyZRUFDAWBMJVWMW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds4

About 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol

2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol (PubChem CID 134331014) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol
PubChem CID134331014
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol
SMILESC=C(C)C(C)(C)NC(C)CO
InChIInChI=1S/C9H19NO/c1-7(2)9(4,5)10-8(3)6-11/h8,10-11H,1,6H2,2-5H3
InChIKeyZRUFDAWBMJVWMW-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(propylamino)but-3-en-1-ol
CID 12648835
2-(But-3-enylamino)-3-methylbutan-1-ol
CID 57591248
2-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 57591314
2-(2-Methylprop-2-enylamino)butan-1-ol
CID 60686994
[1-(But-3-en-2-ylamino)cyclopropyl]methanol
CID 91485572
2-(Ethylamino)-3-methylbut-3-en-1-ol
CID 123757643
2-(2-Ethylpent-2-enylamino)propan-1-ol
CID 123886226
(1R)-1-(2,3-dimethylbut-3-en-2-ylamino)ethanol
CID 148114832
2-Methyl-2-(propan-2-ylamino)but-3-en-1-ol
CID 156234181
(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)
CID 163954290
(2S)-2-(2-methylprop-2-enylamino)propan-1-ol
CID 166896765
3-(3-Methylbut-3-en-2-ylamino)propan-1-ol
CID 167159710

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol?
The IUPAC name of 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol (CID 134331014) is 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol?
The canonical SMILES for 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol is C=C(C)C(C)(C)NC(C)CO.
What is the InChIKey of 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol?
The InChIKey is ZRUFDAWBMJVWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(4,5)10-8(3)6-11/h8,10-11H,1,6H2,2-5H3.
What are the key properties of 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol?
2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-3-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 134331014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).