2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine

C11H20N6 — CID 134257615

IUPAC2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1CCCC(Nc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-7-3-2-4-8(6-5-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H5,12,13,14,15,16,17)
InChIKeyMRXLUJFLHRWICT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.42
Rot. Bonds2

About 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine

2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134257615) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134257615
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1CCCC(Nc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-7-3-2-4-8(6-5-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H5,12,13,14,15,16,17)
InChIKeyMRXLUJFLHRWICT-UHFFFAOYSA-N
XLogP1.42
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
2-N-cyclohexyl-6-ethyl-1,3,5-triazine-2,4-diamine
CID 91621401
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114542042
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 130568334
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]butanamide
CID 21243162

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine (CID 134257615) is 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine is CC1CCCC(Nc2nc(N)nc(N)n2)CC1.
What is the InChIKey of 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MRXLUJFLHRWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-7-3-2-4-8(6-5-7)14-11-16-9(12)15-10(13)17-11/h7-8H,2-6H2,1H3,(H5,12,13,14,15,16,17).
What are the key properties of 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134257615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).