N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide

C9H16N2 — CID 91073028

IUPACN'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C)=CC
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,2H2,1,3-5H3,(H,10,11)
InChIKeyPAZLZQBWTCBLNL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds2

About N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide

N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide (PubChem CID 91073028) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
PubChem CID91073028
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C)=CC
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,2H2,1,3-5H3,(H,10,11)
InChIKeyPAZLZQBWTCBLNL-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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'}

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Related Compounds

2,4,6,8,10,16-Hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
CID 22086201
2,6-Dimethyl-1,4-dihydropyrimidine
CID 57135030
2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 89182777
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide
CID 123321964
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
N'-but-2-en-2-ylethanimidamide
CID 123628782

Frequently Asked Questions

What is the IUPAC name of N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide (CID 91073028) is N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/C(C)=CC.
What is the InChIKey of N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is PAZLZQBWTCBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,2H2,1,3-5H3,(H,10,11).
What are the key properties of N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide?
N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 91073028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).