3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol

C9H19NO — CID 131248330

IUPAC3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol
SMILESC/C=C/CNC(C)C(C)(C)O
InChIInChI=1S/C9H19NO/c1-5-6-7-10-8(2)9(3,4)11/h5-6,8,10-11H,7H2,1-4H3/b6-5+
InChIKeyMTOLQALDZCEMKY-AATRIKPKSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds4

About 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol

3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol (PubChem CID 131248330) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol
PubChem CID131248330
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol
SMILESC/C=C/CNC(C)C(C)(C)O
InChIInChI=1S/C9H19NO/c1-5-6-7-10-8(2)9(3,4)11/h5-6,8,10-11H,7H2,1-4H3/b6-5+
InChIKeyMTOLQALDZCEMKY-AATRIKPKSA-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'}

Analyze 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
CID 107253172
2-[[(E)-but-2-enyl]amino]propanenitrile
CID 55286362
N-[(E)-but-2-enyl]-3-ethylpentan-2-amine
CID 104578151
4-bromo-N-[(E)-but-2-enyl]pentan-2-amine
CID 107897766
ethyl 2-[[(E)-but-2-enyl]amino]propanoate
CID 10866780
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
2-[[(E)-but-2-enyl]amino]-2-methylpropane-1,3-diol
CID 103873314
2-methyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
CID 115516246
3-(2-ethoxyethylamino)-2-methylbutan-2-ol
CID 65337537
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
CID 171800093
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
CID 106157496
5,5-diethyl-6,6,7-trimethyloct-2-ene
CID 123620365

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol (CID 131248330) is 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol is C/C=C/CNC(C)C(C)(C)O.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol?
The InChIKey is MTOLQALDZCEMKY-AATRIKPKSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-10-8(2)9(3,4)11/h5-6,8,10-11H,7H2,1-4H3/b6-5+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol?
3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-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 3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 131248330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).