2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine

C15H22N4 — CID 145496993

IUPAC2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine
SMILESC=CNC(/N=C(\N=C)N/C(C=C)=C/C(=C)C)=C(C)C
InChIInChI=1S/C15H22N4/c1-8-13(10-11(3)4)18-15(16-7)19-14(12(5)6)17-9-2/h8-10,17H,1-3,7H2,4-6H3,(H,18,19)/b13-10+
InChIKeyOPNNKERNGHFJMX-JLHYYAGUSA-N
MW258.37 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine

2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine (PubChem CID 145496993) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine.

Molecular Properties

Compound Name2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine
PubChem CID145496993
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine
SMILESC=CNC(/N=C(\N=C)N/C(C=C)=C/C(=C)C)=C(C)C
InChIInChI=1S/C15H22N4/c1-8-13(10-11(3)4)18-15(16-7)19-14(12(5)6)17-9-2/h8-10,17H,1-3,7H2,4-6H3,(H,18,19)/b13-10+
InChIKeyOPNNKERNGHFJMX-JLHYYAGUSA-N
XLogP3.26
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

7-N,7-dimethyl-1H-quinazoline-2,7-diamine
CID 70100778
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
CID 118972846
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine?
The IUPAC name of 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine (CID 145496993) is 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine.
What is the SMILES notation for 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine?
The canonical SMILES for 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine is C=CNC(/N=C(\N=C)N/C(C=C)=C/C(=C)C)=C(C)C.
What is the InChIKey of 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine?
The InChIKey is OPNNKERNGHFJMX-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H22N4/c1-8-13(10-11(3)4)18-15(16-7)19-14(12(5)6)17-9-2/h8-10,17H,1-3,7H2,4-6H3,(H,18,19)/b13-10+.
What are the key properties of 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine?
2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine has a molecular weight of 258.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine is sourced from PubChem (CID 145496993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).