N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide

C8H17N3 — CID 123307868

IUPACN'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
SMILESCC(=C\NC(C)C)/N=C(\C)N
InChIInChI=1S/C8H17N3/c1-6(2)10-5-7(3)11-8(4)9/h5-6,10H,1-4H3,(H2,9,11)/b7-5+
InChIKeyPDAZMKWDFVUPNJ-FNORWQNLSA-N
MW155.24 g/mol
LogP1.22
Rot. Bonds3

About N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide

N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide (PubChem CID 123307868) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
PubChem CID123307868
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
SMILESCC(=C\NC(C)C)/N=C(\C)N
InChIInChI=1S/C8H17N3/c1-6(2)10-5-7(3)11-8(4)9/h5-6,10H,1-4H3,(H2,9,11)/b7-5+
InChIKeyPDAZMKWDFVUPNJ-FNORWQNLSA-N
XLogP1.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 130312124
N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
CID 134365968
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 134408487
N'-[(Z)-1-aminoprop-1-en-2-yl]ethanimidamide
CID 135244878
(Z)-N'-butan-2-yl-3-(methylamino)prop-2-enimidamide
CID 137200803

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide?
The IUPAC name of N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide (CID 123307868) is N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide is CC(=C\NC(C)C)/N=C(\C)N.
What is the InChIKey of N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide?
The InChIKey is PDAZMKWDFVUPNJ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(2)10-5-7(3)11-8(4)9/h5-6,10H,1-4H3,(H2,9,11)/b7-5+.
What are the key properties of N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide?
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide has a molecular weight of 155.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide is sourced from PubChem (CID 123307868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).