6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 80871374

IUPAC6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OC2CCCCCC2)n1
InChIInChI=1S/C12H21N5O/c1-17(2)11-14-10(13)15-12(16-11)18-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyMQVWSFGAAKFSDF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds3

About 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80871374) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80871374
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OC2CCCCCC2)n1
InChIInChI=1S/C12H21N5O/c1-17(2)11-14-10(13)15-12(16-11)18-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyMQVWSFGAAKFSDF-UHFFFAOYSA-N
XLogP1.62
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80871374) is 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(OC2CCCCCC2)n1.
What is the InChIKey of 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MQVWSFGAAKFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17(2)11-14-10(13)15-12(16-11)18-9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80871374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).