N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine

C12H16N2 — CID 122659216

IUPACN-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
SMILESC=CCN/N=C(\CC)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-10-13-14-12(4-2)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3/b14-12+
InChIKeyFTBJYLVKGVZRBP-WYMLVPIESA-N
MW188.27 g/mol
LogP2.58
Rot. Bonds5

About N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine

N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine (PubChem CID 122659216) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
PubChem CID122659216
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
SMILESC=CCN/N=C(\CC)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-10-13-14-12(4-2)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3/b14-12+
InChIKeyFTBJYLVKGVZRBP-WYMLVPIESA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine?
The IUPAC name of N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine (CID 122659216) is N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine.
What is the SMILES notation for N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine?
The canonical SMILES for N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine is C=CCN/N=C(\CC)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine?
The InChIKey is FTBJYLVKGVZRBP-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16N2/c1-3-10-13-14-12(4-2)11-8-6-5-7-9-11/h3,5-9,13H,1,4,10H2,2H3/b14-12+.
What are the key properties of N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine?
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine is sourced from PubChem (CID 122659216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).