N'-[(E)-pent-2-en-2-yl]ethanimidamide

C7H14N2 — CID 123500479

IUPACN'-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(C)/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-5-6(2)9-7(3)8/h5H,4H2,1-3H3,(H2,8,9)/b6-5+
InChIKeyUIMPCYHPHAQVMX-AATRIKPKSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds2

About N'-[(E)-pent-2-en-2-yl]ethanimidamide

N'-[(E)-pent-2-en-2-yl]ethanimidamide (PubChem CID 123500479) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(E)-pent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-pent-2-en-2-yl]ethanimidamide
PubChem CID123500479
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(C)/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-5-6(2)9-7(3)8/h5H,4H2,1-3H3,(H2,8,9)/b6-5+
InChIKeyUIMPCYHPHAQVMX-AATRIKPKSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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

(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
CID 139576680
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
CID 90783206
(E)-3-amino-N-[(E)-1-aminobut-1-enyl]but-2-enimidoyl chloride
CID 161213899
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
2-methylpent-2-enamide
CID 66895957
(E)-1-fluorobut-1-en-1-amine
CID 174005766
(Z)-hex-3-en-3-amine
CID 18331654

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-[(E)-pent-2-en-2-yl]ethanimidamide (CID 123500479) is N'-[(E)-pent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-pent-2-en-2-yl]ethanimidamide is CC/C=C(C)/N=C(\C)N.
What is the InChIKey of N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The InChIKey is UIMPCYHPHAQVMX-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-6(2)9-7(3)8/h5H,4H2,1-3H3,(H2,8,9)/b6-5+.
What are the key properties of N'-[(E)-pent-2-en-2-yl]ethanimidamide?
N'-[(E)-pent-2-en-2-yl]ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-pent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 123500479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).