N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide

C30H54N4 — CID 134270618

IUPACN-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide
SMILESCC/C(=N\C/C=C\C(C)C)NCC(C)C=C1CCC(=CCCN/C(CCC(C)CC)=N/C)CC1
InChIInChI=1S/C30H54N4/c1-8-25(5)14-19-30(31-7)33-21-11-13-27-15-17-28(18-16-27)22-26(6)23-34-29(9-2)32-20-10-12-24(3)4/h10,12-13,22,24-26H,8-9,11,14-21,23H2,1-7H3,(H,31,33)(H,32,34)/b12-10-,27-13-,28-22+
InChIKeyOYPDBZSYXTUJLO-FBNUEJJMSA-N
MW470.79 g/mol
LogP7.49
Rot. Bonds14

About N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide

N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide (PubChem CID 134270618) has the molecular formula C30H54N4 and a molecular weight of 470.79 g/mol. Its IUPAC name is N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide.

Molecular Properties

Compound NameN-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide
PubChem CID134270618
Molecular FormulaC30H54N4
Molecular Weight470.79 g/mol
Exact Mass470.43
IUPAC NameN-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide
SMILESCC/C(=N\C/C=C\C(C)C)NCC(C)C=C1CCC(=CCCN/C(CCC(C)CC)=N/C)CC1
InChIInChI=1S/C30H54N4/c1-8-25(5)14-19-30(31-7)33-21-11-13-27-15-17-28(18-16-27)22-26(6)23-34-29(9-2)32-20-10-12-24(3)4/h10,12-13,22,24-26H,8-9,11,14-21,23H2,1-7H3,(H,31,33)(H,32,34)/b12-10-,27-13-,28-22+
InChIKeyOYPDBZSYXTUJLO-FBNUEJJMSA-N
XLogP7.49
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.79
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide?
The IUPAC name of N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide (CID 134270618) is N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide.
What is the SMILES notation for N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide?
The canonical SMILES for N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide is CC/C(=N\C/C=C\C(C)C)NCC(C)C=C1CCC(=CCCN/C(CCC(C)CC)=N/C)CC1.
What is the InChIKey of N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide?
The InChIKey is OYPDBZSYXTUJLO-FBNUEJJMSA-N. The full InChI is InChI=1S/C30H54N4/c1-8-25(5)14-19-30(31-7)33-21-11-13-27-15-17-28(18-16-27)22-26(6)23-34-29(9-2)32-20-10-12-24(3)4/h10,12-13,22,24-26H,8-9,11,14-21,23H2,1-7H3,(H,31,33)(H,32,34)/b12-10-,27-13-,28-22+.
What are the key properties of N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide?
N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide has a molecular weight of 470.79 g/mol, XLogP of 7.49, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide is sourced from PubChem (CID 134270618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).