1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane

C17H35N3 — CID 19832453

IUPAC1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane
SMILESCCCCN1CN(CCCC)CN(C2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-3-5-12-18-14-19(13-6-4-2)16-20(15-18)17-10-8-7-9-11-17/h17H,3-16H2,1-2H3
InChIKeyJPLNGDWCNKKOTJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.71
Rot. Bonds7

About 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane

1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane (PubChem CID 19832453) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane
PubChem CID19832453
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane
SMILESCCCCN1CN(CCCC)CN(C2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-3-5-12-18-14-19(13-6-4-2)16-20(15-18)17-10-8-7-9-11-17/h17H,3-16H2,1-2H3
InChIKeyJPLNGDWCNKKOTJ-UHFFFAOYSA-N
XLogP3.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane-2-thione
CID 14070321
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138
4-butyl-1,2-diethyl-1,2,4-triazolidine
CID 163847539
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67672486
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
CID 45254801

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane?
The IUPAC name of 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane (CID 19832453) is 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane.
What is the SMILES notation for 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane?
The canonical SMILES for 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane is CCCCN1CN(CCCC)CN(C2CCCCC2)C1.
What is the InChIKey of 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane?
The InChIKey is JPLNGDWCNKKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-5-12-18-14-19(13-6-4-2)16-20(15-18)17-10-8-7-9-11-17/h17H,3-16H2,1-2H3.
What are the key properties of 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane?
1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane has a molecular weight of 281.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane is sourced from PubChem (CID 19832453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).