2-(ethylamino)-3-methylbut-3-en-1-ol

C7H15NO — CID 123757643

IUPAC2-(ethylamino)-3-methylbut-3-en-1-ol
SMILESC=C(C)C(CO)NCC
InChIInChI=1S/C7H15NO/c1-4-8-7(5-9)6(2)3/h7-9H,2,4-5H2,1,3H3
InChIKeyGORVMSRRNVGROM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

About 2-(ethylamino)-3-methylbut-3-en-1-ol

2-(ethylamino)-3-methylbut-3-en-1-ol (PubChem CID 123757643) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(ethylamino)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methylbut-3-en-1-ol
PubChem CID123757643
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(ethylamino)-3-methylbut-3-en-1-ol
SMILESC=C(C)C(CO)NCC
InChIInChI=1S/C7H15NO/c1-4-8-7(5-9)6(2)3/h7-9H,2,4-5H2,1,3H3
InChIKeyGORVMSRRNVGROM-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-[(2-Methylprop-2-en-1-yl)amino]ethan-1-ol
CID 19100967
(2S)-2-(2,2-difluoroethylamino)-3-(difluoromethyl)but-3-en-1-ol
CID 169182459
2-(2,2-Difluoroethylamino)-3-(difluoromethyl)but-3-en-1-ol
CID 169778959
2-(Methylamino)-3-buten-1-ol
CID 11007829
2-(Dimethylamino)-3-methylbut-3-en-1-ol
CID 13639484
2-(Ethylamino)but-3-en-1-ol
CID 21713281
2-(Propylamino)but-3-en-1-ol
CID 21713284
2-(3-Methylbut-3-enylamino)ethanol
CID 22722980
(2R)-2-amino-3-methylbut-3-en-1-ol
CID 55283772
2-(Prop-2-enylamino)but-3-en-1-ol
CID 57751867
(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
CID 58782012
2-(Methylamino)-3-methylidenepentan-1-ol
CID 59110297

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methylbut-3-en-1-ol?
The IUPAC name of 2-(ethylamino)-3-methylbut-3-en-1-ol (CID 123757643) is 2-(ethylamino)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-methylbut-3-en-1-ol?
The canonical SMILES for 2-(ethylamino)-3-methylbut-3-en-1-ol is C=C(C)C(CO)NCC.
What is the InChIKey of 2-(ethylamino)-3-methylbut-3-en-1-ol?
The InChIKey is GORVMSRRNVGROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-8-7(5-9)6(2)3/h7-9H,2,4-5H2,1,3H3.
What are the key properties of 2-(ethylamino)-3-methylbut-3-en-1-ol?
2-(ethylamino)-3-methylbut-3-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 123757643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).