N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide

C6H13N3 — CID 123556942

IUPACN'-[methyl(prop-1-en-2-yl)amino]ethanimidamide
SMILESC=C(C)N(C)N=C(C)N
InChIInChI=1S/C6H13N3/c1-5(2)9(4)8-6(3)7/h1H2,2-4H3,(H2,7,8)
InChIKeyOXBOAAPTFSVQNP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds2

About N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide

N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide (PubChem CID 123556942) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-[methyl(prop-1-en-2-yl)amino]ethanimidamide
PubChem CID123556942
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[methyl(prop-1-en-2-yl)amino]ethanimidamide
SMILESC=C(C)N(C)N=C(C)N
InChIInChI=1S/C6H13N3/c1-5(2)9(4)8-6(3)7/h1H2,2-4H3,(H2,7,8)
InChIKeyOXBOAAPTFSVQNP-UHFFFAOYSA-N
XLogP0.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[hydroxy(methyl)amino]ethanimidamide
CID 90334672
N-methyl-N-(methyldiazenyl)prop-1-en-2-amine
CID 123965319
ethane;N-[(Z)-ethylideneamino]-N-methylprop-1-en-2-amine
CID 145240581
1,2-dimethyl-1-prop-1-en-2-ylguanidine
CID 145170884
2-(dimethylamino)-1-methylideneguanidine
CID 145298608
1-methyl-1-prop-1-en-2-ylthiourea
CID 163692831
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
CID 154046173
prop-1-en-2-amine;yttrium
CID 158882655
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
1,1-bis(prop-1-en-2-yl)hydrazine
CID 129023174
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709

Frequently Asked Questions

What is the IUPAC name of N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide?
The IUPAC name of N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide (CID 123556942) is N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide is C=C(C)N(C)N=C(C)N.
What is the InChIKey of N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide?
The InChIKey is OXBOAAPTFSVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)9(4)8-6(3)7/h1H2,2-4H3,(H2,7,8).
What are the key properties of N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide?
N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide is sourced from PubChem (CID 123556942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).