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

C12H21N5 — CID 63867788

IUPAC6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H21N5/c1-17(2)12-15-10(14-11(13)16-12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyMQKAAHJKLZGERM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds2

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

6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 63867788) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID63867788
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C12H21N5/c1-17(2)12-15-10(14-11(13)16-12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyMQKAAHJKLZGERM-UHFFFAOYSA-N
XLogP1.96
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 63867788) is 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MQKAAHJKLZGERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17(2)12-15-10(14-11(13)16-12)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-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63867788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).