N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

C9H16N2 — CID 130248112

IUPACN-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C/C(=N\C)N(/C=C\C)CC
InChIInChI=1S/C9H16N2/c1-5-8-11(7-3)9(6-2)10-4/h5-6,8H,2,7H2,1,3-4H3/b8-5-,10-9+
InChIKeyJTQJSZKJESIFSU-RGPKZFNQSA-N
MW152.24 g/mol
LogP2.06
Rot. Bonds3

About N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 130248112) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID130248112
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C/C(=N\C)N(/C=C\C)CC
InChIInChI=1S/C9H16N2/c1-5-8-11(7-3)9(6-2)10-4/h5-6,8H,2,7H2,1,3-4H3/b8-5-,10-9+
InChIKeyJTQJSZKJESIFSU-RGPKZFNQSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 130248112) is N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is C=C/C(=N\C)N(/C=C\C)CC.
What is the InChIKey of N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is JTQJSZKJESIFSU-RGPKZFNQSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8-11(7-3)9(6-2)10-4/h5-6,8H,2,7H2,1,3-4H3/b8-5-,10-9+.
What are the key properties of N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 130248112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).