N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide

C8H13N3 — CID 145312270

IUPACN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide
SMILESC/C=N/C=N/C=C/N=C(C)C
InChIInChI=1S/C8H13N3/c1-4-9-7-10-5-6-11-8(2)3/h4-7H,1-3H3/b6-5+,9-4+,10-7+
InChIKeyJXPPTJJVMXEUPM-SIZPBZAJSA-N
MW151.21 g/mol
LogP2.06
Rot. Bonds3

About N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide

N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide (PubChem CID 145312270) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide
PubChem CID145312270
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide
SMILESC/C=N/C=N/C=C/N=C(C)C
InChIInChI=1S/C8H13N3/c1-4-9-7-10-5-6-11-8(2)3/h4-7H,1-3H3/b6-5+,9-4+,10-7+
InChIKeyJXPPTJJVMXEUPM-SIZPBZAJSA-N
XLogP2.06
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.06
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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Related Compounds

N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(Z)-2-(propan-2-ylideneamino)ethenol
CID 144930691
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
1-(ethylideneamino)prop-1-en-2-yl-methylidyneazanium
CID 123472643
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011
N-(3,3,4-trimethylpent-1-enyl)propan-2-imine
CID 91558342
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 130413517

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide (CID 145312270) is N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide is C/C=N/C=N/C=C/N=C(C)C.
What is the InChIKey of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide?
The InChIKey is JXPPTJJVMXEUPM-SIZPBZAJSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-9-7-10-5-6-11-8(2)3/h4-7H,1-3H3/b6-5+,9-4+,10-7+.
What are the key properties of N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide?
N-ethylidene-N'-[(E)-2-(propan-2-ylideneamino)ethenyl]methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 2.06, 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)ethenyl]methanimidamide is sourced from PubChem (CID 145312270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).