N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine

C21H41N11 — CID 157250221

IUPACN'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESC.C.C/C=C/C1=NCCN1.CC/N=C(\C)N.CC=Nc1ncc[nH]1.CC=Nc1ncn[nH]1
InChIInChI=1S/C6H10N2.C5H7N3.C4H6N4.C4H10N2.2CH4/c1-2-3-6-7-4-5-8-6;1-2-6-5-7-3-4-8-5;1-2-5-4-6-3-7-8-4;1-3-6-4(2)5;;/h2-3H,4-5H2,1H3,(H,7,8);2-4H,1H3,(H,7,8);2-3H,1H3,(H,6,7,8);3H2,1-2H3,(H2,5,6);2*1H4/b3-2+;;;;;
InChIKeyAWGDQJCKMIDRFH-YWURNZKTSA-N
MW447.64 g/mol
LogP3.88
Rot. Bonds4

About N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine

N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine (PubChem CID 157250221) has the molecular formula C21H41N11 and a molecular weight of 447.64 g/mol. Its IUPAC name is N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine.

Molecular Properties

Compound NameN'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine
PubChem CID157250221
Molecular FormulaC21H41N11
Molecular Weight447.64 g/mol
Exact Mass447.35
IUPAC NameN'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine
SMILESC.C.C/C=C/C1=NCCN1.CC/N=C(\C)N.CC=Nc1ncc[nH]1.CC=Nc1ncn[nH]1
InChIInChI=1S/C6H10N2.C5H7N3.C4H6N4.C4H10N2.2CH4/c1-2-3-6-7-4-5-8-6;1-2-6-5-7-3-4-8-5;1-2-5-4-6-3-7-8-4;1-3-6-4(2)5;;/h2-3H,4-5H2,1H3,(H,7,8);2-4H,1H3,(H,7,8);2-3H,1H3,(H,6,7,8);3H2,1-2H3,(H2,5,6);2*1H4/b3-2+;;;;;
InChIKeyAWGDQJCKMIDRFH-YWURNZKTSA-N
XLogP3.88
TPSA157.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.64
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'-(1H-imidazol-2-yl)ethanimidamide
CID 142107184
N'-(1H-imidazol-2-ylmethyl)ethanimidamide
CID 64523221
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157173149
N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
CID 54387791
bis(1H-imidazol-2-yl)diazene;hydrochloride
CID 141477390
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
1H-imidazole-2-carboxamide;N-methyliminonitrous amide
CID 87878969
1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone
CID 57179658
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694
2-[(Z)-but-2-en-2-yl]-1H-imidazole
CID 169206426
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 145111206

Frequently Asked Questions

What is the IUPAC name of N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine?
The IUPAC name of N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine (CID 157250221) is N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine.
What is the SMILES notation for N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine?
The canonical SMILES for N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine is C.C.C/C=C/C1=NCCN1.CC/N=C(\C)N.CC=Nc1ncc[nH]1.CC=Nc1ncn[nH]1.
What is the InChIKey of N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine?
The InChIKey is AWGDQJCKMIDRFH-YWURNZKTSA-N. The full InChI is InChI=1S/C6H10N2.C5H7N3.C4H6N4.C4H10N2.2CH4/c1-2-3-6-7-4-5-8-6;1-2-6-5-7-3-4-8-5;1-2-5-4-6-3-7-8-4;1-3-6-4(2)5;;/h2-3H,4-5H2,1H3,(H,7,8);2-4H,1H3,(H,7,8);2-3H,1H3,(H,6,7,8);3H2,1-2H3,(H2,5,6);2*1H4/b3-2+;;;;;.
What are the key properties of N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine?
N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine has a molecular weight of 447.64 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylethanimidamide;N-(1H-imidazol-2-yl)ethanimine;methane;2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole;N-(1H-1,2,4-triazol-5-yl)ethanimine is sourced from PubChem (CID 157250221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).