1-(2-methylpropylamino)prop-2-en-1-ol

C7H15NO — CID 144909624

IUPAC1-(2-methylpropylamino)prop-2-en-1-ol
SMILESC=CC(O)NCC(C)C
InChIInChI=1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h4,6-9H,1,5H2,2-3H3
InChIKeyFCDIEZPVTKHOHN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.74
Rot. Bonds4

About 1-(2-methylpropylamino)prop-2-en-1-ol

1-(2-methylpropylamino)prop-2-en-1-ol (PubChem CID 144909624) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(2-methylpropylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)prop-2-en-1-ol
PubChem CID144909624
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(2-methylpropylamino)prop-2-en-1-ol
SMILESC=CC(O)NCC(C)C
InChIInChI=1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h4,6-9H,1,5H2,2-3H3
InChIKeyFCDIEZPVTKHOHN-UHFFFAOYSA-N
XLogP0.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-2-methylpropan-1-amine
CID 115876759
1-(hexadecylamino)prop-2-en-1-ol
CID 143379155
3-(1-hydroxyprop-2-enylamino)propyl 3-methylbutanoate
CID 134504883
1,4-diamino-1,4-bis(2-methylpropylamino)butane-2,3-diol
CID 118555473
3-methyl-1-N,1-N'-bis(2-methylpropyl)butane-1,1-diamine
CID 160646348
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
CID 106285355
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
(1S)-1-(2-methylpropylamino)ethanethiol
CID 168900997
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
(3S)-4-hydroxy-3-(2-methylpropylamino)pentan-2-one
CID 158144524

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)prop-2-en-1-ol?
The IUPAC name of 1-(2-methylpropylamino)prop-2-en-1-ol (CID 144909624) is 1-(2-methylpropylamino)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-methylpropylamino)prop-2-en-1-ol?
The canonical SMILES for 1-(2-methylpropylamino)prop-2-en-1-ol is C=CC(O)NCC(C)C.
What is the InChIKey of 1-(2-methylpropylamino)prop-2-en-1-ol?
The InChIKey is FCDIEZPVTKHOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h4,6-9H,1,5H2,2-3H3.
What are the key properties of 1-(2-methylpropylamino)prop-2-en-1-ol?
1-(2-methylpropylamino)prop-2-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)prop-2-en-1-ol is sourced from PubChem (CID 144909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).