carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium

C6H13N4+ — CID 163718317

IUPACcarbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium
SMILES[H]/N=C(\N)[NH2+]/C(C=CC)=N/C
InChIInChI=1S/C6H12N4/c1-3-4-5(9-2)10-6(7)8/h3-4H,1-2H3,(H4,7,8,9,10)/p+1
InChIKeyKPHDULZMUKEMNP-UHFFFAOYSA-O
MW141.20 g/mol
LogP-0.95
Rot. Bonds1

About carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium

carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium (PubChem CID 163718317) has the molecular formula C6H13N4+ and a molecular weight of 141.20 g/mol. Its IUPAC name is carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium.

Molecular Properties

Compound Namecarbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium
PubChem CID163718317
Molecular FormulaC6H13N4+
Molecular Weight141.20 g/mol
Exact Mass141.11
IUPAC Namecarbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium
SMILES[H]/N=C(\N)[NH2+]/C(C=CC)=N/C
InChIInChI=1S/C6H12N4/c1-3-4-5(9-2)10-6(7)8/h3-4H,1-2H3,(H4,7,8,9,10)/p+1
InChIKeyKPHDULZMUKEMNP-UHFFFAOYSA-O
XLogP-0.95
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 5-0.95
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'}

Analyze carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-methyliminopent-3-enamide
CID 126689701
1-[(E)-2-oxopent-3-enylidene]guanidine
CID 123227345
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(E)-N'-aminobut-2-enimidamide
CID 142083872
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
carbamimidoyl(ethenyl)azanium chloride
CID 87178746
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride
CID 18790347
N'-hydroxybut-2-enimidamide
CID 91580832
(Z)-but-2-enimidoyl cyanide
CID 123741154
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium?
The IUPAC name of carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium (CID 163718317) is carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium.
What is the SMILES notation for carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium?
The canonical SMILES for carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium is [H]/N=C(\N)[NH2+]/C(C=CC)=N/C.
What is the InChIKey of carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium?
The InChIKey is KPHDULZMUKEMNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N4/c1-3-4-5(9-2)10-6(7)8/h3-4H,1-2H3,(H4,7,8,9,10)/p+1.
What are the key properties of carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium?
carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium has a molecular weight of 141.20 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium is sourced from PubChem (CID 163718317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).