3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine

C21H45N9 — CID 170990931

IUPAC3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine
SMILESCN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1.c1ncncn1
InChIInChI=1S/C18H42N6.C3H3N3/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6;1-4-2-6-3-5-1/h7-18H2,1-6H3;1-3H
InChIKeyKCGBSOGJBJEURO-UHFFFAOYSA-N
MW423.65 g/mol
LogP0.51
Rot. Bonds12

About 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine

3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine (PubChem CID 170990931) has the molecular formula C21H45N9 and a molecular weight of 423.65 g/mol. Its IUPAC name is 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine.

Molecular Properties

Compound Name3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine
PubChem CID170990931
Molecular FormulaC21H45N9
Molecular Weight423.65 g/mol
Exact Mass423.38
IUPAC Name3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine
SMILESCN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1.c1ncncn1
InChIInChI=1S/C18H42N6.C3H3N3/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6;1-4-2-6-3-5-1/h7-18H2,1-6H3;1-3H
InChIKeyKCGBSOGJBJEURO-UHFFFAOYSA-N
XLogP0.51
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine?
The IUPAC name of 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine (CID 170990931) is 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine.
What is the SMILES notation for 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine?
The canonical SMILES for 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine is CN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1.c1ncncn1.
What is the InChIKey of 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine?
The InChIKey is KCGBSOGJBJEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N6.C3H3N3/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6;1-4-2-6-3-5-1/h7-18H2,1-6H3;1-3H.
What are the key properties of 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine?
3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine has a molecular weight of 423.65 g/mol, XLogP of 0.51, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine is sourced from PubChem (CID 170990931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).