ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide

C23H36N2 — CID 145212763

IUPACethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
SMILESC=C/C(=C\C(C)=C/C)N(C)/C(CC)=N/C(C=C)=C(\C=C)C(=C)C.CC
InChIInChI=1S/C21H30N2.C2H6/c1-10-17(8)15-18(11-2)23(9)21(14-5)22-20(13-4)19(12-3)16(6)7;1-2/h10-13,15H,2-4,6,14H2,1,5,7-9H3;1-2H3/b17-10-,18-15+,20-19+,22-21+;
InChIKeyGNXNYEJPIINVNP-ISUCSXJPSA-N
MW340.56 g/mol
LogP6.99
Rot. Bonds8

About ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide

ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide (PubChem CID 145212763) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide.

Molecular Properties

Compound Nameethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
PubChem CID145212763
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Nameethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
SMILESC=C/C(=C\C(C)=C/C)N(C)/C(CC)=N/C(C=C)=C(\C=C)C(=C)C.CC
InChIInChI=1S/C21H30N2.C2H6/c1-10-17(8)15-18(11-2)23(9)21(14-5)22-20(13-4)19(12-3)16(6)7;1-2/h10-13,15H,2-4,6,14H2,1,5,7-9H3;1-2H3/b17-10-,18-15+,20-19+,22-21+;
InChIKeyGNXNYEJPIINVNP-ISUCSXJPSA-N
XLogP6.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
N-[(3E)-6-fluoro-3,4-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N',2-dimethyl-N-propylbutanimidamide
CID 130439459
(2E,4Z,6E)-N-[[3-[(1E,3E)-2-ethenyl-3-methylhexa-1,3-dienyl]-2-methyl-4H-pyrimidin-6-yl]methyl]-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 156544884
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide?
The IUPAC name of ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide (CID 145212763) is ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide.
What is the SMILES notation for ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide?
The canonical SMILES for ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide is C=C/C(=C\C(C)=C/C)N(C)/C(CC)=N/C(C=C)=C(\C=C)C(=C)C.CC.
What is the InChIKey of ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide?
The InChIKey is GNXNYEJPIINVNP-ISUCSXJPSA-N. The full InChI is InChI=1S/C21H30N2.C2H6/c1-10-17(8)15-18(11-2)23(9)21(14-5)22-20(13-4)19(12-3)16(6)7;1-2/h10-13,15H,2-4,6,14H2,1,5,7-9H3;1-2H3/b17-10-,18-15+,20-19+,22-21+;.
What are the key properties of ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide?
ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide has a molecular weight of 340.56 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide is sourced from PubChem (CID 145212763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).