N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide

C25H37N5 — CID 143342904

IUPACN-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide
SMILESC#C/C=C(C)\C=C(/C)CCNC(=C)/C(CC)=N/C(=C)N(C(=C)C(=C)NC)/C(C)=N/C
InChIInChI=1S/C25H37N5/c1-12-14-18(3)17-19(4)15-16-28-21(6)25(13-2)29-24(9)30(23(8)27-11)22(7)20(5)26-10/h1,14,17,26,28H,5-7,9,13,15-16H2,2-4,8,10-11H3/b18-14-,19-17+,27-23+,29-25+
InChIKeyWRHIKBKZOWIOIS-HLGNMKQVSA-N
MW407.61 g/mol
LogP4.92
Rot. Bonds12

About N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide

N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide (PubChem CID 143342904) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide
PubChem CID143342904
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC NameN-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide
SMILESC#C/C=C(C)\C=C(/C)CCNC(=C)/C(CC)=N/C(=C)N(C(=C)C(=C)NC)/C(C)=N/C
InChIInChI=1S/C25H37N5/c1-12-14-18(3)17-19(4)15-16-28-21(6)25(13-2)29-24(9)30(23(8)27-11)22(7)20(5)26-10/h1,14,17,26,28H,5-7,9,13,15-16H2,2-4,8,10-11H3/b18-14-,19-17+,27-23+,29-25+
InChIKeyWRHIKBKZOWIOIS-HLGNMKQVSA-N
XLogP4.92
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide with MolForge

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Related Compounds

(3E,5Z)-N-butyl-7-(5-ethenylimino-7-methylimino-1,2-dihydroazepin-2-yl)-N-ethylocta-3,5,7-trien-4-amine
CID 137257099
acetylene;ethane;(3E)-2-ethenyl-1-ethyl-1-methyl-3-(3-methylbut-3-en-2-ylidene)guanidine;(2E,4E)-5-ethenyl-N,2,4-trimethylocta-2,4,7-trien-1-amine;(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine
CID 143342325
(2E,4Z)-N-but-1-en-2-yl-3-methylhepta-2,4-dien-2-amine;N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide;ethane;prop-1-ene
CID 143342903
(3E)-1-[2-[[(5E)-2,6-dimethyl-5-(propan-2-ylideneamino)octa-2,5-dienyl]amino]prop-2-enyl]-3-[2-[[(3E)-6-ethenyl-3-methylocta-3,5,7-trien-2-yl]amino]hexa-1,5-dien-3-ylidene]-1-methyl-2-prop-1-en-2-ylguanidine;ethane
CID 143346807
2-[(E)-1-(cyclobuten-1-yl)prop-1-en-2-yl]-5-N-ethyl-3,4-dimethyl-7-N-propan-2-yl-4,5-dihydro-1,3-diazepine-5,7-diamine
CID 146586936
N'-(3-aminopent-1-en-4-yn-2-yl)-N-[2-[[(E)-3-(4-ethyl-2-methyl-3H-pyrrol-5-yl)-2-methylprop-2-enyl]amino]prop-2-enyl]-N-methylethanimidamide
CID 143343417
(3E)-1-[2-[[(5E)-2,6-dimethyl-5-(propan-2-ylideneamino)octa-2,5-dienyl]amino]prop-2-enyl]-3-[2-[[(3E)-6-ethenyl-3-methylocta-3,5,7-trien-2-yl]amino]hexa-1,5-dien-3-ylidene]-1-methyl-2-prop-1-en-2-ylguanidine
CID 143346808

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide (CID 143342904) is N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide is C#C/C=C(C)\C=C(/C)CCNC(=C)/C(CC)=N/C(=C)N(C(=C)C(=C)NC)/C(C)=N/C.
What is the InChIKey of N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is WRHIKBKZOWIOIS-HLGNMKQVSA-N. The full InChI is InChI=1S/C25H37N5/c1-12-14-18(3)17-19(4)15-16-28-21(6)25(13-2)29-24(9)30(23(8)27-11)22(7)20(5)26-10/h1,14,17,26,28H,5-7,9,13,15-16H2,2-4,8,10-11H3/b18-14-,19-17+,27-23+,29-25+.
What are the key properties of N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide?
N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 407.61 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-2-[[(3E,5Z)-3,5-dimethylocta-3,5-dien-7-ynyl]amino]pent-1-en-3-ylideneamino]ethenyl]-N'-methyl-N-[3-(methylamino)buta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 143342904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).