ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide

C27H40N2 — CID 178171576

IUPACethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide
SMILESC=C(C)/C=C(/C)C(=C)C(/C=C(C)/C(N)=N/CCCCC)=c1\ccccc1=C.CC
InChIInChI=1S/C25H34N2.C2H6/c1-8-9-12-15-27-25(26)21(6)17-24(22(7)20(5)16-18(2)3)23-14-11-10-13-19(23)4;1-2/h10-11,13-14,16-17H,2,4,7-9,12,15H2,1,3,5-6H3,(H2,26,27);1-2H3/b20-16-,21-17+,24-23+;
InChIKeyLDDBHTKRZRLGNB-PZYCRLNGSA-N
MW392.63 g/mol
LogP5.85
Rot. Bonds9

About ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide

ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide (PubChem CID 178171576) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide.

Molecular Properties

Compound Nameethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide
PubChem CID178171576
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Nameethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide
SMILESC=C(C)/C=C(/C)C(=C)C(/C=C(C)/C(N)=N/CCCCC)=c1\ccccc1=C.CC
InChIInChI=1S/C25H34N2.C2H6/c1-8-9-12-15-27-25(26)21(6)17-24(22(7)20(5)16-18(2)3)23-14-11-10-13-19(23)4;1-2/h10-11,13-14,16-17H,2,4,7-9,12,15H2,1,3,5-6H3,(H2,26,27);1-2H3/b20-16-,21-17+,24-23+;
InChIKeyLDDBHTKRZRLGNB-PZYCRLNGSA-N
XLogP5.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide?
The IUPAC name of ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide (CID 178171576) is ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide.
What is the SMILES notation for ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide?
The canonical SMILES for ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide is C=C(C)/C=C(/C)C(=C)C(/C=C(C)/C(N)=N/CCCCC)=c1\ccccc1=C.CC.
What is the InChIKey of ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide?
The InChIKey is LDDBHTKRZRLGNB-PZYCRLNGSA-N. The full InChI is InChI=1S/C25H34N2.C2H6/c1-8-9-12-15-27-25(26)21(6)17-24(22(7)20(5)16-18(2)3)23-14-11-10-13-19(23)4;1-2/h10-11,13-14,16-17H,2,4,7-9,12,15H2,1,3,5-6H3,(H2,26,27);1-2H3/b20-16-,21-17+,24-23+;.
What are the key properties of ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide?
ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide has a molecular weight of 392.63 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E,6Z)-2,6,8-trimethyl-5-methylidene-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-pentylnona-2,6,8-trienimidamide is sourced from PubChem (CID 178171576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).