3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine

C13H17Cl3N2 — CID 102750821

IUPAC3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2/c1-8-4-2-3-5-9(8)7-17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,2-5,7H2,1H3,(H,17,18)
InChIKeyLTDZTUDHHMCOGH-UHFFFAOYSA-N
MW307.65 g/mol
LogP5.28
Rot. Bonds3

About 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine

3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 102750821) has the molecular formula C13H17Cl3N2 and a molecular weight of 307.65 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
PubChem CID102750821
Molecular FormulaC13H17Cl3N2
Molecular Weight307.65 g/mol
Exact Mass306.05
IUPAC Name3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2/c1-8-4-2-3-5-9(8)7-17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,2-5,7H2,1H3,(H,17,18)
InChIKeyLTDZTUDHHMCOGH-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107420127
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 102751364
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine (CID 102750821) is 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine is CC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is LTDZTUDHHMCOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2/c1-8-4-2-3-5-9(8)7-17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 307.65 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).