(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide

C24H42N4 — CID 170390810

IUPAC(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide
SMILESC=CCC/C(=C\C(NCC(C=CC)CC)=C(C)C)CN/C=C\C(N)=N\C(C)C
InChIInChI=1S/C24H42N4/c1-8-11-13-22(17-26-15-14-24(25)28-20(6)7)16-23(19(4)5)27-18-21(10-3)12-9-2/h8-9,12,14-16,20-21,26-27H,1,10-11,13,17-18H2,2-7H3,(H2,25,28)/b12-9?,15-14-,22-16+
InChIKeyKIKFBZJPCFNPTN-BJKDXVGSSA-N
MW386.63 g/mol
LogP5.23
Rot. Bonds14

About (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide

(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide (PubChem CID 170390810) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide
PubChem CID170390810
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide
SMILESC=CCC/C(=C\C(NCC(C=CC)CC)=C(C)C)CN/C=C\C(N)=N\C(C)C
InChIInChI=1S/C24H42N4/c1-8-11-13-22(17-26-15-14-24(25)28-20(6)7)16-23(19(4)5)27-18-21(10-3)12-9-2/h8-9,12,14-16,20-21,26-27H,1,10-11,13,17-18H2,2-7H3,(H2,25,28)/b12-9?,15-14-,22-16+
InChIKeyKIKFBZJPCFNPTN-BJKDXVGSSA-N
XLogP5.23
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide?
The IUPAC name of (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide (CID 170390810) is (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide?
The canonical SMILES for (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide is C=CCC/C(=C\C(NCC(C=CC)CC)=C(C)C)CN/C=C\C(N)=N\C(C)C.
What is the InChIKey of (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide?
The InChIKey is KIKFBZJPCFNPTN-BJKDXVGSSA-N. The full InChI is InChI=1S/C24H42N4/c1-8-11-13-22(17-26-15-14-24(25)28-20(6)7)16-23(19(4)5)27-18-21(10-3)12-9-2/h8-9,12,14-16,20-21,26-27H,1,10-11,13,17-18H2,2-7H3,(H2,25,28)/b12-9?,15-14-,22-16+.
What are the key properties of (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide?
(Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide has a molecular weight of 386.63 g/mol, XLogP of 5.23, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2E)-2-but-3-enyl-4-(2-ethylpent-3-enylamino)-5-methylhexa-2,4-dienyl]amino]-N'-propan-2-ylprop-2-enimidamide is sourced from PubChem (CID 170390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).