(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide

C9H15N3 — CID 118883721

IUPAC(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=CN(C)C(=N\C)/C(C)=C\N=C
InChIInChI=1S/C9H15N3/c1-6-12(5)9(11-4)8(2)7-10-3/h6-7H,1,3H2,2,4-5H3/b8-7-,11-9-
InChIKeyHHXNKTJUYHWBTH-JCBKOVKPSA-N
MW165.24 g/mol
LogP1.69
Rot. Bonds3

About (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide

(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide (PubChem CID 118883721) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide
PubChem CID118883721
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=CN(C)C(=N\C)/C(C)=C\N=C
InChIInChI=1S/C9H15N3/c1-6-12(5)9(11-4)8(2)7-10-3/h6-7H,1,3H2,2,4-5H3/b8-7-,11-9-
InChIKeyHHXNKTJUYHWBTH-JCBKOVKPSA-N
XLogP1.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide?
The IUPAC name of (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide (CID 118883721) is (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide is C=CN(C)C(=N\C)/C(C)=C\N=C.
What is the InChIKey of (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide?
The InChIKey is HHXNKTJUYHWBTH-JCBKOVKPSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-12(5)9(11-4)8(2)7-10-3/h6-7H,1,3H2,2,4-5H3/b8-7-,11-9-.
What are the key properties of (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide?
(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 118883721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).