N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine

C7H12N2 — CID 137436974

IUPACN-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine
SMILESC/C=N/C=C\N=C\CC
InChIInChI=1S/C7H12N2/c1-3-5-9-7-6-8-4-2/h4-7H,3H2,1-2H3/b7-6-,8-4+,9-5+
InChIKeyMOSNHYVCPNVGFW-GCXMUOCOSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds3

About N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine

N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine (PubChem CID 137436974) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine
PubChem CID137436974
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine
SMILESC/C=N/C=C\N=C\CC
InChIInChI=1S/C7H12N2/c1-3-5-9-7-6-8-4-2/h4-7H,3H2,1-2H3/b7-6-,8-4+,9-5+
InChIKeyMOSNHYVCPNVGFW-GCXMUOCOSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine (CID 137436974) is N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine is C/C=N/C=C\N=C\CC.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine?
The InChIKey is MOSNHYVCPNVGFW-GCXMUOCOSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-7-6-8-4-2/h4-7H,3H2,1-2H3/b7-6-,8-4+,9-5+.
What are the key properties of N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine?
N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)ethenyl]propan-1-imine is sourced from PubChem (CID 137436974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).