2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide

C9H17N3 — CID 123392533

IUPAC2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide
SMILESC=C(/N=C/C)/C(=N/C)NCCC
InChIInChI=1S/C9H17N3/c1-5-7-12-9(10-4)8(3)11-6-2/h6H,3,5,7H2,1-2,4H3,(H,10,12)/b11-6+
InChIKeyYXDRPRPAKDUDBJ-IZZDOVSWSA-N
MW167.26 g/mol
LogP1.62
Rot. Bonds4

About 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide

2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide (PubChem CID 123392533) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide
PubChem CID123392533
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide
SMILESC=C(/N=C/C)/C(=N/C)NCCC
InChIInChI=1S/C9H17N3/c1-5-7-12-9(10-4)8(3)11-6-2/h6H,3,5,7H2,1-2,4H3,(H,10,12)/b11-6+
InChIKeyYXDRPRPAKDUDBJ-IZZDOVSWSA-N
XLogP1.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.62
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'}

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Related Compounds

N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
5-(ethylideneamino)-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
CID 141796542
N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide
CID 146358873
2-(ethylideneamino)-N,N'-dimethylprop-2-enimidamide
CID 163781501
N-ethyl-2-ethyliminopyrrol-3-amine
CID 166688955

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide?
The IUPAC name of 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide (CID 123392533) is 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide.
What is the SMILES notation for 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide?
The canonical SMILES for 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide is C=C(/N=C/C)/C(=N/C)NCCC.
What is the InChIKey of 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide?
The InChIKey is YXDRPRPAKDUDBJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-7-12-9(10-4)8(3)11-6-2/h6H,3,5,7H2,1-2,4H3,(H,10,12)/b11-6+.
What are the key properties of 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide?
2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N'-methyl-N-propylprop-2-enimidamide is sourced from PubChem (CID 123392533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).