(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide

C11H23N3 — CID 23272434

IUPAC(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\N(C)C)N(CC)CC
InChIInChI=1S/C11H23N3/c1-6-9-10-11(12-13(4)5)14(7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6+,12-11+
InChIKeyWLAZFHHGDWNTGP-SQXBUMSNSA-N
MW197.33 g/mol
LogP2.17
Rot. Bonds5

About (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide

(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide (PubChem CID 23272434) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide
PubChem CID23272434
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\N(C)C)N(CC)CC
InChIInChI=1S/C11H23N3/c1-6-9-10-11(12-13(4)5)14(7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6+,12-11+
InChIKeyWLAZFHHGDWNTGP-SQXBUMSNSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Fqtlnstuikobcg-wuzdhupesa-
CID 12576986
Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Csyckzpjmfafeu-zzssdcadsa-
CID 23266851
Hguzpyblohxodx-saokqglqsa-
CID 23266994
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Yoxodfgwivdktc-gwvnssqisa-
CID 23272433
Urqhmiopmodyon-seyxrhqnsa-
CID 23272502
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide?
The IUPAC name of (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide (CID 23272434) is (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide.
What is the SMILES notation for (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide?
The canonical SMILES for (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide is C/C=C/C/C(=N\N(C)C)N(CC)CC.
What is the InChIKey of (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide?
The InChIKey is WLAZFHHGDWNTGP-SQXBUMSNSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-9-10-11(12-13(4)5)14(7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6+,12-11+.
What are the key properties of (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide?
(E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(dimethylamino)-N,N-diethylpent-3-enimidamide is sourced from PubChem (CID 23272434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).