N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide

C9H15N3 — CID 145312327

IUPACN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C(\C)N=C(C)C
InChIInChI=1S/C9H15N3/c1-5-10-7-11-6-9(4)12-8(2)3/h5-7H,1-4H3/b9-6+,10-5+,11-7+
InChIKeyDDEFPVAELHEZHU-QZFBNICWSA-N
MW165.24 g/mol
LogP2.45
Rot. Bonds3

About N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide

N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide (PubChem CID 145312327) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide
PubChem CID145312327
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C(\C)N=C(C)C
InChIInChI=1S/C9H15N3/c1-5-10-7-11-6-9(4)12-8(2)3/h5-7H,1-4H3/b9-6+,10-5+,11-7+
InChIKeyDDEFPVAELHEZHU-QZFBNICWSA-N
XLogP2.45
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide (CID 145312327) is N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide is C/C=N/C=N/C=C(\C)N=C(C)C.
What is the InChIKey of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide?
The InChIKey is DDEFPVAELHEZHU-QZFBNICWSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-10-7-11-6-9(4)12-8(2)3/h5-7H,1-4H3/b9-6+,10-5+,11-7+.
What are the key properties of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide?
N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide has a molecular weight of 165.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)prop-1-enyl]methanimidamide is sourced from PubChem (CID 145312327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).