N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide

C6H13N5 — CID 148575149

IUPACN-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C)=C(\N)N=CN
InChIInChI=1S/C6H13N5/c1-5(11-4-9-2)6(8)10-3-7/h3-4H,8H2,1-2H3,(H2,7,10)(H,9,11)/b6-5+
InChIKeyMXQMJSYRQVDZOW-AATRIKPKSA-N
MW155.20 g/mol
LogP-0.63
Rot. Bonds3

About N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide

N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide (PubChem CID 148575149) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide
PubChem CID148575149
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC NameN-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C)=C(\N)N=CN
InChIInChI=1S/C6H13N5/c1-5(11-4-9-2)6(8)10-3-7/h3-4H,8H2,1-2H3,(H2,7,10)(H,9,11)/b6-5+
InChIKeyMXQMJSYRQVDZOW-AATRIKPKSA-N
XLogP-0.63
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
CID 123336063
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-ethylmethanimidamide
CID 133675159
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59919462
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
N-[(Z)-1-aminoprop-1-en-2-yl]-N'-methylmethanimidamide
CID 118689711

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide (CID 148575149) is N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide is C/N=C/N/C(C)=C(\N)N=CN.
What is the InChIKey of N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide?
The InChIKey is MXQMJSYRQVDZOW-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13N5/c1-5(11-4-9-2)6(8)10-3-7/h3-4H,8H2,1-2H3,(H2,7,10)(H,9,11)/b6-5+.
What are the key properties of N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide?
N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-amino-1-(aminomethylideneamino)prop-1-en-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 148575149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).