(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide

C8H15N3 — CID 123967106

IUPAC(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
SMILES[H]/N=C(\C=C/C)C(=N/C)/NCC
InChIInChI=1S/C8H15N3/c1-4-6-7(9)8(10-3)11-5-2/h4,6,9H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+
InChIKeyOKMBZASFVYLRNG-UNQQQNFISA-N
MW153.23 g/mol
LogP1.22
Rot. Bonds3

About (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide

(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide (PubChem CID 123967106) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide.

Molecular Properties

Compound Name(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
PubChem CID123967106
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
SMILES[H]/N=C(\C=C/C)C(=N/C)/NCC
InChIInChI=1S/C8H15N3/c1-4-6-7(9)8(10-3)11-5-2/h4,6,9H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+
InChIKeyOKMBZASFVYLRNG-UNQQQNFISA-N
XLogP1.22
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
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

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
2-[(Z)-but-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 89851124
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
(Z)-N,N'-dimethyl-2,3-bis(methylimino)hex-4-enimidamide
CID 90826663
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
CID 91476468

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide?
The IUPAC name of (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide (CID 123967106) is (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide.
What is the SMILES notation for (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide?
The canonical SMILES for (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide is [H]/N=C(\C=C/C)C(=N/C)/NCC.
What is the InChIKey of (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide?
The InChIKey is OKMBZASFVYLRNG-UNQQQNFISA-N. The full InChI is InChI=1S/C8H15N3/c1-4-6-7(9)8(10-3)11-5-2/h4,6,9H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+.
What are the key properties of (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide?
(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide has a molecular weight of 153.23 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 (Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide is sourced from PubChem (CID 123967106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).