4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C13H25N7 — CID 80829643

IUPAC4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H25N7/c1-19(2)13-17-11(14)16-12(18-13)15-8-9-20(3)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyJUQBXZIWBQXAAA-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.81
Rot. Bonds6

About 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80829643) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80829643
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H25N7/c1-19(2)13-17-11(14)16-12(18-13)15-8-9-20(3)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyJUQBXZIWBQXAAA-UHFFFAOYSA-N
XLogP0.81
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
2-N-cyclopentyl-2-N-ethyl-4-N,4-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774985
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80829643) is 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCCN(C)C2CCCC2)n1.
What is the InChIKey of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JUQBXZIWBQXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-19(2)13-17-11(14)16-12(18-13)15-8-9-20(3)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 279.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80829643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).