2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

C14H27N7 — CID 80909767

IUPAC2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC2CCC(C)C2C)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(17-13(19-14)20-15)16-11-8-7-9(3)10(11)4/h9-11H,5-8,15H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyKMZKFEBPROOTBM-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.85
Rot. Bonds6

About 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine (PubChem CID 80909767) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
PubChem CID80909767
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC2CCC(C)C2C)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(17-13(19-14)20-15)16-11-8-7-9(3)10(11)4/h9-11H,5-8,15H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyKMZKFEBPROOTBM-UHFFFAOYSA-N
XLogP1.85
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80841384
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80938212
4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
N-(2,3-dimethylcyclopentyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80915750
2-N-(2,2-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 80929643
4-N-(1-cyclopropylethyl)-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80906389
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301
2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80898529
2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 80785173
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine (CID 80909767) is 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NC2CCC(C)C2C)n1.
What is the InChIKey of 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KMZKFEBPROOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(17-13(19-14)20-15)16-11-8-7-9(3)10(11)4/h9-11H,5-8,15H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).