(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide

C18H34N4 — CID 23266851

IUPAC(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N/N=C(/C/C=C/C)N(CC)CC)N(CC)CC
InChIInChI=1S/C18H34N4/c1-7-13-15-17(21(9-3)10-4)19-20-18(16-14-8-2)22(11-5)12-6/h7-8,13-14H,9-12,15-16H2,1-6H3/b13-7+,14-8+,19-17-,20-18-
InChIKeyCSYCKZPJMFAFEU-ZZSSDCADSA-N
MW306.50 g/mol
LogP4.31
Rot. Bonds9

About (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide

(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide (PubChem CID 23266851) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide
PubChem CID23266851
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N/N=C(/C/C=C/C)N(CC)CC)N(CC)CC
InChIInChI=1S/C18H34N4/c1-7-13-15-17(21(9-3)10-4)19-20-18(16-14-8-2)22(11-5)12-6/h7-8,13-14H,9-12,15-16H2,1-6H3/b13-7+,14-8+,19-17-,20-18-
InChIKeyCSYCKZPJMFAFEU-ZZSSDCADSA-N
XLogP4.31
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.31
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
Hguzpyblohxodx-saokqglqsa-
CID 23266994
Yoxodfgwivdktc-gwvnssqisa-
CID 23272433
Wlazfhhgdwntgp-sqxbumsnsa-
CID 23272434
N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide
CID 23266926

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide?
The IUPAC name of (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide (CID 23266851) is (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide.
What is the SMILES notation for (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide?
The canonical SMILES for (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide is C/C=C/C/C(=N/N=C(/C/C=C/C)N(CC)CC)N(CC)CC.
What is the InChIKey of (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide?
The InChIKey is CSYCKZPJMFAFEU-ZZSSDCADSA-N. The full InChI is InChI=1S/C18H34N4/c1-7-13-15-17(21(9-3)10-4)19-20-18(16-14-8-2)22(11-5)12-6/h7-8,13-14H,9-12,15-16H2,1-6H3/b13-7+,14-8+,19-17-,20-18-.
What are the key properties of (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide?
(E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide has a molecular weight of 306.50 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(Z)-[(E)-1-(diethylamino)pent-3-enylidene]amino]-N,N-diethylpent-3-enimidamide is sourced from PubChem (CID 23266851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).