N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide

C8H15N3 — CID 146182622

IUPACN-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide
SMILESC=CC(C)C(=N/C)/N=C(\C)N
InChIInChI=1S/C8H15N3/c1-5-6(2)8(10-4)11-7(3)9/h5-6H,1H2,2-4H3,(H2,9,10,11)
InChIKeyLCFGDUVAKFEOOO-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.21
Rot. Bonds2

About N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide

N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide (PubChem CID 146182622) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide
PubChem CID146182622
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide
SMILESC=CC(C)C(=N/C)/N=C(\C)N
InChIInChI=1S/C8H15N3/c1-5-6(2)8(10-4)11-7(3)9/h5-6H,1H2,2-4H3,(H2,9,10,11)
InChIKeyLCFGDUVAKFEOOO-UHFFFAOYSA-N
XLogP1.21
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-fluoro-N'-methylbut-3-enimidamide
CID 142083566
2-methyl-N'-prop-2-enylpropanimidamide
CID 19043648
2-methyl-N-methylidenebut-3-enimidamide
CID 21924865
N'-methylpent-4-enimidamide
CID 53972678
N'-prop-2-enylbut-3-enimidamide
CID 87174806
N'-(2-methylpent-4-enyl)ethanimidamide
CID 91373134
(2Z)-N',4-dimethylhexa-2,5-dienimidamide
CID 123486543
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
CID 130233732
N',2-dimethylpent-3-enimidamide
CID 135213830
2-ethyl-N'-methylbut-3-enimidamide
CID 137428073
N'-(3-methylbut-1-enyl)ethanimidamide
CID 140960156

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide?
The IUPAC name of N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide (CID 146182622) is N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide.
What is the SMILES notation for N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide?
The canonical SMILES for N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide is C=CC(C)C(=N/C)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide?
The InChIKey is LCFGDUVAKFEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-6(2)8(10-4)11-7(3)9/h5-6H,1H2,2-4H3,(H2,9,10,11).
What are the key properties of N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide?
N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide is sourced from PubChem (CID 146182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).