3-(3-methylbut-2-enylamino)butan-1-ol

C9H19NO — CID 103522708

IUPAC3-(3-methylbut-2-enylamino)butan-1-ol
SMILESCC(C)=CCNC(C)CCO
InChIInChI=1S/C9H19NO/c1-8(2)4-6-10-9(3)5-7-11/h4,9-11H,5-7H2,1-3H3
InChIKeyIALYSPYKSWKGHG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds5

About 3-(3-methylbut-2-enylamino)butan-1-ol

3-(3-methylbut-2-enylamino)butan-1-ol (PubChem CID 103522708) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylamino)butan-1-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-enylamino)butan-1-ol
PubChem CID103522708
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(3-methylbut-2-enylamino)butan-1-ol
SMILESCC(C)=CCNC(C)CCO
InChIInChI=1S/C9H19NO/c1-8(2)4-6-10-9(3)5-7-11/h4,9-11H,5-7H2,1-3H3
InChIKeyIALYSPYKSWKGHG-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-[(3-Fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol
CID 123870817
(E)-2-methyl-4-(propylamino)but-2-en-1-ol
CID 134979176
2-(2-Methylprop-2-enylamino)butan-1-ol
CID 60686994
2-(But-2-enylamino)butan-1-ol
CID 76175675
2,2-Dimethyl-3-(prop-2-enylamino)propan-1-ol
CID 81414580
3-(But-3-enylamino)butan-1-ol
CID 83177296
3-methyl-3-[[(2E)-2-methylpenta-2,4-dienyl]amino]butan-1-ol
CID 121388612
3-(3-Methylbut-3-en-2-ylamino)propan-1-ol
CID 167159710
(3S)-3-(prop-2-enylamino)butan-1-ol
CID 170109921
(Z)-2-methyl-4-(propylamino)but-2-en-1-ol
CID 12648837
2-[[(E)-but-2-enyl]amino]butan-1-ol
CID 55222131
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylamino)butan-1-ol?
The IUPAC name of 3-(3-methylbut-2-enylamino)butan-1-ol (CID 103522708) is 3-(3-methylbut-2-enylamino)butan-1-ol.
What is the SMILES notation for 3-(3-methylbut-2-enylamino)butan-1-ol?
The canonical SMILES for 3-(3-methylbut-2-enylamino)butan-1-ol is CC(C)=CCNC(C)CCO.
What is the InChIKey of 3-(3-methylbut-2-enylamino)butan-1-ol?
The InChIKey is IALYSPYKSWKGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-6-10-9(3)5-7-11/h4,9-11H,5-7H2,1-3H3.
What are the key properties of 3-(3-methylbut-2-enylamino)butan-1-ol?
3-(3-methylbut-2-enylamino)butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylamino)butan-1-ol is sourced from PubChem (CID 103522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).