4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C14H29N7 — CID 80771087

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)(C)CN(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H29N7/c1-8-15-11-17-12(19-13(18-11)21(6)7)16-9-14(2,3)10-20(4)5/h8-10H2,1-7H3,(H2,15,16,17,18,19)
InChIKeySSNGXHKUZMTTHJ-UHFFFAOYSA-N
MW295.44 g/mol
LogP1.37
Rot. Bonds8

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80771087) has the molecular formula C14H29N7 and a molecular weight of 295.44 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80771087
Molecular FormulaC14H29N7
Molecular Weight295.44 g/mol
Exact Mass295.25
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)(C)CN(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H29N7/c1-8-15-11-17-12(19-13(18-11)21(6)7)16-9-14(2,3)10-20(4)5/h8-10H2,1-7H3,(H2,15,16,17,18,19)
InChIKeySSNGXHKUZMTTHJ-UHFFFAOYSA-N
XLogP1.37
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80771087) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC(C)(C)CN(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SSNGXHKUZMTTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N7/c1-8-15-11-17-12(19-13(18-11)21(6)7)16-9-14(2,3)10-20(4)5/h8-10H2,1-7H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 295.44 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80771087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).