N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C13H21N5 — CID 157267834

IUPACN-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)CCC2=CCC=C2)=NC(C)N1
InChIInChI=1S/C13H21N5/c1-10-15-12(14-2)17-13(16-10)18(3)9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyFXEKLAVNOQDJOQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.08
Rot. Bonds3

About N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 157267834) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID157267834
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)CCC2=CCC=C2)=NC(C)N1
InChIInChI=1S/C13H21N5/c1-10-15-12(14-2)17-13(16-10)18(3)9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyFXEKLAVNOQDJOQ-UHFFFAOYSA-N
XLogP1.08
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
2-[N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylcarbamimidoyl]-1,1-dipropylguanidine
CID 144216890
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 144527446
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
4-Cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
CID 149005303
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 163762524
1-[3-[(1Z,3Z,8Z,10Z)-5,12-dimethylidenecyclododeca-1,3,6,8,10-pentaen-1-yl]propyl]-2-methylguanidine
CID 164071290
N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide
CID 170128044
CID 173752285
CID 173752285
1-(Diaminomethylidene)-3-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]guanidine
CID 176523951

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 157267834) is N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(C)CCC2=CCC=C2)=NC(C)N1.
What is the InChIKey of N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is FXEKLAVNOQDJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-15-12(14-2)17-13(16-10)18(3)9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-1,4-dien-1-ylethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 157267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).