N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide

C9H17N3 — CID 123348821

IUPACN'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
SMILESCC/C(C)=N/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H17N3/c1-5-7(2)12-8(3)6-11-9(4)10/h6H,5H2,1-4H3,(H2,10,11)/b8-6+,12-7+
InChIKeyCAZJFXNCNDVZPY-ULBORTECSA-N
MW167.26 g/mol
LogP2.10
Rot. Bonds3

About N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide

N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide (PubChem CID 123348821) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
PubChem CID123348821
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
SMILESCC/C(C)=N/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H17N3/c1-5-7(2)12-8(3)6-11-9(4)10/h6H,5H2,1-4H3,(H2,10,11)/b8-6+,12-7+
InChIKeyCAZJFXNCNDVZPY-ULBORTECSA-N
XLogP2.10
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.10
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'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
N'-prop-1-en-2-ylpropanimidamide
CID 132181307
N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 134408487
N'-[(Z)-1-aminoprop-1-en-2-yl]ethanimidamide
CID 135244878
N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide
CID 138493788
2-imino-N'-[(Z)-prop-1-enyl]propanimidamide
CID 138737588
ethane;methanamine;N'-prop-1-en-2-ylethanimidamide
CID 142054627
ethane;N'-prop-1-en-2-ylethanimidamide
CID 142348517
ethane;(Z)-1-(propan-2-ylideneamino)prop-1-en-2-amine
CID 145193146
ethane;(Z)-1-(propan-2-ylideneamino)prop-1-en-2-amine
CID 145193185
N'-[(Z)-2-amino-3-methylbut-1-enyl]-2-methylpropanimidamide
CID 146175738

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide (CID 123348821) is N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide is CC/C(C)=N/C(C)=C/N=C(\C)N.
What is the InChIKey of N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The InChIKey is CAZJFXNCNDVZPY-ULBORTECSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-7(2)12-8(3)6-11-9(4)10/h6H,5H2,1-4H3,(H2,10,11)/b8-6+,12-7+.
What are the key properties of N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide?
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 123348821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).