3-amino-2-methylbut-3-en-1-ol

C5H11NO — CID 143544491

IUPAC3-amino-2-methylbut-3-en-1-ol
SMILESC=C(N)C(C)CO
InChIInChI=1S/C5H11NO/c1-4(3-7)5(2)6/h4,7H,2-3,6H2,1H3
InChIKeyANVLPVPICSXDDV-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.09
Rot. Bonds2

About 3-amino-2-methylbut-3-en-1-ol

3-amino-2-methylbut-3-en-1-ol (PubChem CID 143544491) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-amino-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name3-amino-2-methylbut-3-en-1-ol
PubChem CID143544491
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-amino-2-methylbut-3-en-1-ol
SMILESC=C(N)C(C)CO
InChIInChI=1S/C5H11NO/c1-4(3-7)5(2)6/h4,7H,2-3,6H2,1H3
InChIKeyANVLPVPICSXDDV-UHFFFAOYSA-N
XLogP0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methylpropane;prop-1-en-2-amine
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1-N,3-dimethylpent-4-ene-1,4-diamine
CID 142892579
(3R)-but-1-ene-2,3-diamine
CID 142167658
4-hydroxy-3-methylbutan-2-one;3-methylbut-3-en-2-one
CID 159336901
N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
CID 87061144
(3S)-3-(hydroxymethyl)-4-methyl-2-methylidenepentanamide
CID 11159459
2-aminopropan-1-ol;hydrofluoride
CID 22617394
1-iodoprop-2-ene-1,2-diamine
CID 126580837
3-hydroxy-2-(methylamino)propanamide
CID 14241499
ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylbut-3-en-1-ol?
The IUPAC name of 3-amino-2-methylbut-3-en-1-ol (CID 143544491) is 3-amino-2-methylbut-3-en-1-ol.
What is the SMILES notation for 3-amino-2-methylbut-3-en-1-ol?
The canonical SMILES for 3-amino-2-methylbut-3-en-1-ol is C=C(N)C(C)CO.
What is the InChIKey of 3-amino-2-methylbut-3-en-1-ol?
The InChIKey is ANVLPVPICSXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(3-7)5(2)6/h4,7H,2-3,6H2,1H3.
What are the key properties of 3-amino-2-methylbut-3-en-1-ol?
3-amino-2-methylbut-3-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylbut-3-en-1-ol is sourced from PubChem (CID 143544491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).