N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide

C6H12N4 — CID 91589459

IUPACN'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
SMILESC=C(C)/N=C(\N)N=C(C)N
InChIInChI=1S/C6H12N4/c1-4(2)9-6(8)10-5(3)7/h1H2,2-3H3,(H4,7,8,9,10)
InChIKeySZTJXCDVDHBOSN-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.21
Rot. Bonds1

About N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide

N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide (PubChem CID 91589459) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide.

Molecular Properties

Compound NameN'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
PubChem CID91589459
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
SMILESC=C(C)/N=C(\N)N=C(C)N
InChIInChI=1S/C6H12N4/c1-4(2)9-6(8)10-5(3)7/h1H2,2-3H3,(H4,7,8,9,10)
InChIKeySZTJXCDVDHBOSN-UHFFFAOYSA-N
XLogP0.21
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
CID 154046173
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
CID 175858505
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100
N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide
CID 123611073
prop-1-en-2-amine;yttrium
CID 158882655
N,N'-bis(1-aminoethylidene)hexanediamide
CID 87475863
N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
CID 176924842

Frequently Asked Questions

What is the IUPAC name of N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide?
The IUPAC name of N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide (CID 91589459) is N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide.
What is the SMILES notation for N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide?
The canonical SMILES for N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide is C=C(C)/N=C(\N)N=C(C)N.
What is the InChIKey of N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide?
The InChIKey is SZTJXCDVDHBOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(2)9-6(8)10-5(3)7/h1H2,2-3H3,(H4,7,8,9,10).
What are the key properties of N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide?
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide has a molecular weight of 140.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide is sourced from PubChem (CID 91589459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).