1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine

C12H30N6 — CID 57249397

IUPAC1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CN1CN(CN(C)C)CN(CN(C)C)C1
InChIInChI=1S/C12H30N6/c1-13(2)7-16-10-17(8-14(3)4)12-18(11-16)9-15(5)6/h7-12H2,1-6H3
InChIKeyQBHMJFLAXSFEAS-UHFFFAOYSA-N
MW258.41 g/mol
LogP-0.66
Rot. Bonds6

About 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine

1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine (PubChem CID 57249397) has the molecular formula C12H30N6 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine
PubChem CID57249397
Molecular FormulaC12H30N6
Molecular Weight258.41 g/mol
Exact Mass258.25
IUPAC Name1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CN1CN(CN(C)C)CN(CN(C)C)C1
InChIInChI=1S/C12H30N6/c1-13(2)7-16-10-17(8-14(3)4)12-18(11-16)9-15(5)6/h7-12H2,1-6H3
InChIKeyQBHMJFLAXSFEAS-UHFFFAOYSA-N
XLogP-0.66
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine (CID 57249397) is 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine is CN(C)CN1CN(CN(C)C)CN(CN(C)C)C1.
What is the InChIKey of 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine?
The InChIKey is QBHMJFLAXSFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N6/c1-13(2)7-16-10-17(8-14(3)4)12-18(11-16)9-15(5)6/h7-12H2,1-6H3.
What are the key properties of 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine?
1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine has a molecular weight of 258.41 g/mol, XLogP of -0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 57249397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).