N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine

C22H34N4 — CID 11035629

IUPACN-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/CCCCC#CC#CCCCC/C=C/C=N/N(C)C
InChIInChI=1S/C22H34N4/c1-25(2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(3)4/h17-22H,9-16H2,1-4H3/b19-17+,20-18+,23-21+,24-22+
InChIKeyGXSCMAXONLTZPB-RAHHSKRVSA-N
MW354.54 g/mol
LogP4.32
Rot. Bonds12

About N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine

N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine (PubChem CID 11035629) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
PubChem CID11035629
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC NameN-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/CCCCC#CC#CCCCC/C=C/C=N/N(C)C
InChIInChI=1S/C22H34N4/c1-25(2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(3)4/h17-22H,9-16H2,1-4H3/b19-17+,20-18+,23-21+,24-22+
InChIKeyGXSCMAXONLTZPB-RAHHSKRVSA-N
XLogP4.32
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
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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Related Compounds

N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 135079077
N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
CID 135080051
N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine
CID 11728681
N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
CID 177450859
N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine
CID 11121792
N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine
CID 15563503
N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine
CID 177489737
N-methyl-N-[(E)-[(5Z,11Z)-octadeca-5,11-dienylidene]amino]methanamine
CID 177502850
N-[(E)-[(5Z,11Z)-1-deuteriooctadeca-5,11-dienylidene]amino]-N-methylmethanamine
CID 177522191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine (CID 11035629) is N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine is CN(C)/N=C/C=C/CCCCC#CC#CCCCC/C=C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine?
The InChIKey is GXSCMAXONLTZPB-RAHHSKRVSA-N. The full InChI is InChI=1S/C22H34N4/c1-25(2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(3)4/h17-22H,9-16H2,1-4H3/b19-17+,20-18+,23-21+,24-22+.
What are the key properties of N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine?
N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine has a molecular weight of 354.54 g/mol, XLogP of 4.32, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11035629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).