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

C22H42N4 — CID 23266994

IUPAC(E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide
SMILESC/C=C/C/C(=N/N=C(/C/C=C/C)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C22H42N4/c1-7-13-15-21(25(17-9-3)18-10-4)23-24-22(16-14-8-2)26(19-11-5)20-12-6/h7-8,13-14H,9-12,15-20H2,1-6H3/b13-7+,14-8+,23-21-,24-22-
InChIKeyHGUZPYBLOHXODX-SAOKQGLQSA-N
MW362.61 g/mol
LogP5.87
Rot. Bonds13

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

(E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide (PubChem CID 23266994) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide
PubChem CID23266994
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name(E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide
SMILESC/C=C/C/C(=N/N=C(/C/C=C/C)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C22H42N4/c1-7-13-15-21(25(17-9-3)18-10-4)23-24-22(16-14-8-2)26(19-11-5)20-12-6/h7-8,13-14H,9-12,15-20H2,1-6H3/b13-7+,14-8+,23-21-,24-22-
InChIKeyHGUZPYBLOHXODX-SAOKQGLQSA-N
XLogP5.87
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 55.87
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
Csyckzpjmfafeu-zzssdcadsa-
CID 23266851
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-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide?
The IUPAC name of (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide (CID 23266994) is (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide.
What is the SMILES notation for (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide?
The canonical SMILES for (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide is C/C=C/C/C(=N/N=C(/C/C=C/C)N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide?
The InChIKey is HGUZPYBLOHXODX-SAOKQGLQSA-N. The full InChI is InChI=1S/C22H42N4/c1-7-13-15-21(25(17-9-3)18-10-4)23-24-22(16-14-8-2)26(19-11-5)20-12-6/h7-8,13-14H,9-12,15-20H2,1-6H3/b13-7+,14-8+,23-21-,24-22-.
What are the key properties of (E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide?
(E)-N'-[(Z)-[(E)-1-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide has a molecular weight of 362.61 g/mol, XLogP of 5.87, 13 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-(dipropylamino)pent-3-enylidene]amino]-N,N-dipropylpent-3-enimidamide is sourced from PubChem (CID 23266994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).