N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide

C20H38N4 — CID 23266926

IUPACN'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCN(CC)/C(CC=C(C)C)=N\N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C20H38N4/c1-9-23(10-2)19(15-13-17(5)6)21-22-20(16-14-18(7)8)24(11-3)12-4/h13-14H,9-12,15-16H2,1-8H3/b21-19-,22-20-
InChIKeyRHJYOPVPLRMOOH-WRBBJXAJSA-N
MW334.55 g/mol
LogP5.09
Rot. Bonds9

About N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide

N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide (PubChem CID 23266926) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide.

Molecular Properties

Compound NameN'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide
PubChem CID23266926
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC NameN'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCN(CC)/C(CC=C(C)C)=N\N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C20H38N4/c1-9-23(10-2)19(15-13-17(5)6)21-22-20(16-14-18(7)8)24(11-3)12-4/h13-14H,9-12,15-16H2,1-8H3/b21-19-,22-20-
InChIKeyRHJYOPVPLRMOOH-WRBBJXAJSA-N
XLogP5.09
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 55.09
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

Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Csyckzpjmfafeu-zzssdcadsa-
CID 23266851
Hguzpyblohxodx-saokqglqsa-
CID 23266994
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Urqhmiopmodyon-seyxrhqnsa-
CID 23272502
N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide
CID 12709000

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide?
The IUPAC name of N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide (CID 23266926) is N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide.
What is the SMILES notation for N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide?
The canonical SMILES for N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide is CCN(CC)/C(CC=C(C)C)=N\N=C(\CC=C(C)C)N(CC)CC.
What is the InChIKey of N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide?
The InChIKey is RHJYOPVPLRMOOH-WRBBJXAJSA-N. The full InChI is InChI=1S/C20H38N4/c1-9-23(10-2)19(15-13-17(5)6)21-22-20(16-14-18(7)8)24(11-3)12-4/h13-14H,9-12,15-16H2,1-8H3/b21-19-,22-20-.
What are the key properties of N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide?
N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide has a molecular weight of 334.55 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide is sourced from PubChem (CID 23266926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).