4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine

C13H22N4O — CID 63868762

IUPAC4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-18-9-8-11-15-12(17-13(14)16-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyDITIAEGNODYAHA-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds4

About 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine (PubChem CID 63868762) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
PubChem CID63868762
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
SMILESCOCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-18-9-8-11-15-12(17-13(14)16-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyDITIAEGNODYAHA-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-Cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151169
4-Cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476944
6-Cycloheptyl-1,3,5-triazine-2,4-diamine
CID 69211590
4-Ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
CID 175220818
4-Cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 55252116
4-Cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63866848
4-Cycloheptyl-6-propyl-1,3,5-triazin-2-amine
CID 63866849
4-Cycloheptyl-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 63867011
4-Cycloheptyl-6-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 63867012
4-Cycloheptyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 63867328
4-Cycloheptyl-6-cyclopropyl-1,3,5-triazin-2-amine
CID 63867786
6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 63867788

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine (CID 63868762) is 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine is COCCc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is DITIAEGNODYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-9-8-11-15-12(17-13(14)16-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).