N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine

C8H14N2 — CID 90145929

IUPACN-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine
SMILESC=C/C=N/C=C/NCCC
InChIInChI=1S/C8H14N2/c1-3-5-9-7-8-10-6-4-2/h3,5,7-8,10H,1,4,6H2,2H3/b8-7+,9-5+
InChIKeyOOPWGLZDZDLKGR-DMQCZMPNSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds5

About N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine

N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine (PubChem CID 90145929) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine
PubChem CID90145929
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine
SMILESC=C/C=N/C=C/NCCC
InChIInChI=1S/C8H14N2/c1-3-5-9-7-8-10-6-4-2/h3,5,7-8,10H,1,4,6H2,2H3/b8-7+,9-5+
InChIKeyOOPWGLZDZDLKGR-DMQCZMPNSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine?
The IUPAC name of N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine (CID 90145929) is N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine.
What is the SMILES notation for N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine?
The canonical SMILES for N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine is C=C/C=N/C=C/NCCC.
What is the InChIKey of N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine?
The InChIKey is OOPWGLZDZDLKGR-DMQCZMPNSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-9-7-8-10-6-4-2/h3,5,7-8,10H,1,4,6H2,2H3/b8-7+,9-5+.
What are the key properties of N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine?
N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine is sourced from PubChem (CID 90145929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).