N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine

C22H34N4 — CID 11121792

IUPACN-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine
SMILESCC(/C=C/CCCC#CC#CCCC/C=C/C(C)=N/N(C)C)=N\N(C)C
InChIInChI=1S/C22H34N4/c1-21(23-25(3)4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)24-26(5)6/h17-20H,11-16H2,1-6H3/b19-17+,20-18+,23-21+,24-22+
InChIKeyPUNMOZYUUOWEIF-RAHHSKRVSA-N
MW354.54 g/mol
LogP4.32
Rot. Bonds10

About N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine

N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine (PubChem CID 11121792) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine
PubChem CID11121792
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC NameN-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine
SMILESCC(/C=C/CCCC#CC#CCCC/C=C/C(C)=N/N(C)C)=N\N(C)C
InChIInChI=1S/C22H34N4/c1-21(23-25(3)4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)24-26(5)6/h17-20H,11-16H2,1-6H3/b19-17+,20-18+,23-21+,24-22+
InChIKeyPUNMOZYUUOWEIF-RAHHSKRVSA-N
XLogP4.32
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine (CID 11121792) is N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine is CC(/C=C/CCCC#CC#CCCC/C=C/C(C)=N/N(C)C)=N\N(C)C.
What is the InChIKey of N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine?
The InChIKey is PUNMOZYUUOWEIF-RAHHSKRVSA-N. The full InChI is InChI=1S/C22H34N4/c1-21(23-25(3)4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(2)24-26(5)6/h17-20H,11-16H2,1-6H3/b19-17+,20-18+,23-21+,24-22+.
What are the key properties of N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine?
N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine has a molecular weight of 354.54 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11121792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).