1,2,2-tricyclohexyl-1,3,5-triazinane

C21H39N3 — CID 57085727

IUPAC1,2,2-tricyclohexyl-1,3,5-triazinane
SMILESC1CCC(N2CNCNC2(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C21H39N3/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-22-17-24(21)20-14-8-3-9-15-20/h18-20,22-23H,1-17H2
InChIKeyGCZALNHQLCSFSO-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.59
Rot. Bonds3

About 1,2,2-tricyclohexyl-1,3,5-triazinane

1,2,2-tricyclohexyl-1,3,5-triazinane (PubChem CID 57085727) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 1,2,2-tricyclohexyl-1,3,5-triazinane.

Molecular Properties

Compound Name1,2,2-tricyclohexyl-1,3,5-triazinane
PubChem CID57085727
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name1,2,2-tricyclohexyl-1,3,5-triazinane
SMILESC1CCC(N2CNCNC2(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C21H39N3/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-22-17-24(21)20-14-8-3-9-15-20/h18-20,22-23H,1-17H2
InChIKeyGCZALNHQLCSFSO-UHFFFAOYSA-N
XLogP4.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2,2,3-tricyclohexylimidazolidin-1-yl)silane
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(4-cyclooctylimidazolidin-4-yl)methanethiol
CID 163904814
1-cyclohexyl-3,3-dimethyldiaziridine
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1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
CID 131115710
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
1-cyclooctyl-1,4-diazocane-2,2-diamine
CID 70577124
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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tricyclohexyl-1,3,5-triazinane?
The IUPAC name of 1,2,2-tricyclohexyl-1,3,5-triazinane (CID 57085727) is 1,2,2-tricyclohexyl-1,3,5-triazinane.
What is the SMILES notation for 1,2,2-tricyclohexyl-1,3,5-triazinane?
The canonical SMILES for 1,2,2-tricyclohexyl-1,3,5-triazinane is C1CCC(N2CNCNC2(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1,2,2-tricyclohexyl-1,3,5-triazinane?
The InChIKey is GCZALNHQLCSFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-22-17-24(21)20-14-8-3-9-15-20/h18-20,22-23H,1-17H2.
What are the key properties of 1,2,2-tricyclohexyl-1,3,5-triazinane?
1,2,2-tricyclohexyl-1,3,5-triazinane has a molecular weight of 333.56 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tricyclohexyl-1,3,5-triazinane is sourced from PubChem (CID 57085727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).