1,3,5-tributyltriazinane

C15H33N3 — CID 21325298

IUPAC1,3,5-tributyltriazinane
SMILESCCCCC1CN(CCCC)NN(CCCC)C1
InChIInChI=1S/C15H33N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h15-16H,4-14H2,1-3H3
InChIKeyLIXHFPPEVMOLDJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.43
Rot. Bonds9

About 1,3,5-tributyltriazinane

1,3,5-tributyltriazinane (PubChem CID 21325298) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1,3,5-tributyltriazinane.

Molecular Properties

Compound Name1,3,5-tributyltriazinane
PubChem CID21325298
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1,3,5-tributyltriazinane
SMILESCCCCC1CN(CCCC)NN(CCCC)C1
InChIInChI=1S/C15H33N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h15-16H,4-14H2,1-3H3
InChIKeyLIXHFPPEVMOLDJ-UHFFFAOYSA-N
XLogP3.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Tris[3-(dimethylamino)propyl]-1,3,5-hexahydro-triazine
CID 19737100
1,3,5-Triethyl-1,3,5-hexahydro-triazine
CID 21325295
1,3,5-Tripropyl-1,3,5-hexahydrotriazine
CID 21325300
3,5-Dimethylpiperidin-1-amine
CID 17604018
3-[1,3-bis[3-(diethylamino)propyl]triazinan-5-yl]-N,N-diethylpropan-1-amine
CID 20308919
1,3,5-Tris(2-methylpropyl)triazinane
CID 21437128
N-methylmethanamine;1,3,5-tripropyltriazinane
CID 22055173
4-Cyclopropyl-3-methylpiperidin-1-amine
CID 22278862
4-Isopropylpiperidin-1-amine
CID 22394400
N-methyl-4-propylpiperidin-1-amine
CID 23069778
3-Propylpiperidin-1-amine
CID 23297609
(3S,5S)-3,5-dimethylpiperidin-1-amine
CID 28083725

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyltriazinane?
The IUPAC name of 1,3,5-tributyltriazinane (CID 21325298) is 1,3,5-tributyltriazinane.
What is the SMILES notation for 1,3,5-tributyltriazinane?
The canonical SMILES for 1,3,5-tributyltriazinane is CCCCC1CN(CCCC)NN(CCCC)C1.
What is the InChIKey of 1,3,5-tributyltriazinane?
The InChIKey is LIXHFPPEVMOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h15-16H,4-14H2,1-3H3.
What are the key properties of 1,3,5-tributyltriazinane?
1,3,5-tributyltriazinane has a molecular weight of 255.45 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributyltriazinane is sourced from PubChem (CID 21325298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).