1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol

C15H23NO — CID 13219301

IUPAC1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
SMILESC/C=C/CN(Cc1ccccc1)CC(O)CC
InChIInChI=1S/C15H23NO/c1-3-5-11-16(13-15(17)4-2)12-14-9-7-6-8-10-14/h3,5-10,15,17H,4,11-13H2,1-2H3/b5-3+
InChIKeyHMAFZYRDVNJPMZ-HWKANZROSA-N
MW233.36 g/mol
LogP2.84
Rot. Bonds7

About 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol

1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol (PubChem CID 13219301) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
PubChem CID13219301
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
SMILESC/C=C/CN(Cc1ccccc1)CC(O)CC
InChIInChI=1S/C15H23NO/c1-3-5-11-16(13-15(17)4-2)12-14-9-7-6-8-10-14/h3,5-10,15,17H,4,11-13H2,1-2H3/b5-3+
InChIKeyHMAFZYRDVNJPMZ-HWKANZROSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
2-[benzyl-[(Z)-but-2-enyl]amino]acetonitrile
CID 15383614
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
CID 71677029
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
N-[3-[benzyl-[(E)-but-2-enyl]amino]-2,2-dimethylpropylidene]hydroxylamine
CID 23239396
3-[[benzyl(2-hydroxybutyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768278
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
N-benzyl-N-[(E)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 10946291
(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 7409827

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol?
The IUPAC name of 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol (CID 13219301) is 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol.
What is the SMILES notation for 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol?
The canonical SMILES for 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol is C/C=C/CN(Cc1ccccc1)CC(O)CC.
What is the InChIKey of 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol?
The InChIKey is HMAFZYRDVNJPMZ-HWKANZROSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-11-16(13-15(17)4-2)12-14-9-7-6-8-10-14/h3,5-10,15,17H,4,11-13H2,1-2H3/b5-3+.
What are the key properties of 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol?
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol is sourced from PubChem (CID 13219301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).