N-(1-aminoethylidene)-2-(methylamino)ethanimidamide

C5H12N4 — CID 122487479

IUPACN-(1-aminoethylidene)-2-(methylamino)ethanimidamide
SMILES[H]/N=C(CNC)/N=C(\C)N
InChIInChI=1S/C5H12N4/c1-4(6)9-5(7)3-8-2/h8H,3H2,1-2H3,(H3,6,7,9)
InChIKeyPHVUCSBWRWDZNJ-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.44
Rot. Bonds2

About N-(1-aminoethylidene)-2-(methylamino)ethanimidamide

N-(1-aminoethylidene)-2-(methylamino)ethanimidamide (PubChem CID 122487479) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-(methylamino)ethanimidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-(methylamino)ethanimidamide
PubChem CID122487479
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC NameN-(1-aminoethylidene)-2-(methylamino)ethanimidamide
SMILES[H]/N=C(CNC)/N=C(\C)N
InChIInChI=1S/C5H12N4/c1-4(6)9-5(7)3-8-2/h8H,3H2,1-2H3,(H3,6,7,9)
InChIKeyPHVUCSBWRWDZNJ-UHFFFAOYSA-N
XLogP-0.44
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
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-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
CID 161421983
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
N'-carbamimidoylethanimidamide
CID 20603119
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
ethanimidamide;guanidine
CID 160661984
N-[1-(methylamino)propan-2-ylidene]methanimidamide
CID 142272138
N'-propanimidoylpropanimidamide
CID 58804639
methyl 4-[N-(1-aminoethylidene)carbamimidoyl]sulfanyl-3-oxobutanoate
CID 163676337
1-butan-2-ylideneguanidine
CID 161053722
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
cobalt;ethanimidamide
CID 162055614
N-diazenyl-2-(methylamino)acetamide
CID 137160680

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-(methylamino)ethanimidamide?
The IUPAC name of N-(1-aminoethylidene)-2-(methylamino)ethanimidamide (CID 122487479) is N-(1-aminoethylidene)-2-(methylamino)ethanimidamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-(methylamino)ethanimidamide?
The canonical SMILES for N-(1-aminoethylidene)-2-(methylamino)ethanimidamide is [H]/N=C(CNC)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)-2-(methylamino)ethanimidamide?
The InChIKey is PHVUCSBWRWDZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-4(6)9-5(7)3-8-2/h8H,3H2,1-2H3,(H3,6,7,9).
What are the key properties of N-(1-aminoethylidene)-2-(methylamino)ethanimidamide?
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide has a molecular weight of 128.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-(methylamino)ethanimidamide is sourced from PubChem (CID 122487479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).