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

C18H42N6 — CID 19737100

IUPAC3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CN(CCCN(C)C)NN(CCCN(C)C)C1
InChIInChI=1S/C18H42N6/c1-20(2)11-7-10-18-16-23(14-8-12-21(3)4)19-24(17-18)15-9-13-22(5)6/h18-19H,7-17H2,1-6H3
InChIKeyDPXFJZGPVUNVOT-UHFFFAOYSA-N
MW342.58 g/mol
LogP0.88
Rot. Bonds12

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

3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine (PubChem CID 19737100) has the molecular formula C18H42N6 and a molecular weight of 342.58 g/mol. Its IUPAC name is 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine
PubChem CID19737100
Molecular FormulaC18H42N6
Molecular Weight342.58 g/mol
Exact Mass342.35
IUPAC Name3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CN(CCCN(C)C)NN(CCCN(C)C)C1
InChIInChI=1S/C18H42N6/c1-20(2)11-7-10-18-16-23(14-8-12-21(3)4)19-24(17-18)15-9-13-22(5)6/h18-19H,7-17H2,1-6H3
InChIKeyDPXFJZGPVUNVOT-UHFFFAOYSA-N
XLogP0.88
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine (CID 19737100) is 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1CN(CCCN(C)C)NN(CCCN(C)C)C1.
What is the InChIKey of 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is DPXFJZGPVUNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N6/c1-20(2)11-7-10-18-16-23(14-8-12-21(3)4)19-24(17-18)15-9-13-22(5)6/h18-19H,7-17H2,1-6H3.
What are the key properties of 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine?
3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 342.58 g/mol, XLogP of 0.88, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-bis[3-(dimethylamino)propyl]triazinan-5-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).