N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine

C20H30N4 — CID 177450859

IUPACN-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/CCCC#CC#CCCC/C=C/C=N/N(C)C
InChIInChI=1S/C20H30N4/c1-23(2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(3)4/h15-20H,9-14H2,1-4H3/b17-15+,18-16+,21-19+,22-20+
InChIKeyMCVUJBSRDPXUBV-NOBWHTEWSA-N
MW326.49 g/mol
LogP3.54
Rot. Bonds10

About N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine

N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine (PubChem CID 177450859) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
PubChem CID177450859
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/CCCC#CC#CCCC/C=C/C=N/N(C)C
InChIInChI=1S/C20H30N4/c1-23(2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(3)4/h15-20H,9-14H2,1-4H3/b17-15+,18-16+,21-19+,22-20+
InChIKeyMCVUJBSRDPXUBV-NOBWHTEWSA-N
XLogP3.54
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.54
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-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
CID 11160292
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
2,6,10-Dodecatriene-1-imine, 3,7,11-trimethyl-1-(dimethylamino)-
CID 9602870
N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
CID 11035629
N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine
CID 11728681
N-[(Z)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine
CID 92034634
N-[(E)-[(3E,15E,17E)-17-(dimethylhydrazinylidene)octadeca-3,15-dien-8,10-diyn-2-ylidene]amino]-N-methylmethanamine
CID 11121792
N-[(E)-[(E)-hex-2-enylidene]amino]-N-methylmethanamine
CID 11137253
N-[(E)-[(E)-hept-2-enylidene]amino]-N-methylmethanamine
CID 15563503
1,1-dimethyl-2-[(2E,6Z)-nona-2,6-dien-1-ylidene]hydrazine
CID 71536565
N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine
CID 121218094

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine (CID 177450859) is N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine is CN(C)/N=C/C=C/CCCC#CC#CCCC/C=C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine?
The InChIKey is MCVUJBSRDPXUBV-NOBWHTEWSA-N. The full InChI is InChI=1S/C20H30N4/c1-23(2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(3)4/h15-20H,9-14H2,1-4H3/b17-15+,18-16+,21-19+,22-20+.
What are the key properties of N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine?
N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine has a molecular weight of 326.49 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 177450859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).