5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C16H26ClN3 — CID 114926801

IUPAC5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C2CCC(C)(C)CC2)ncc1Cl
InChIInChI=1S/C16H26ClN3/c1-16(2)7-5-13(6-8-16)20(4)15-9-12(10-18-3)14(17)11-19-15/h9,11,13,18H,5-8,10H2,1-4H3
InChIKeyINHGXZBJMZJXHH-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds4

About 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine

5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 114926801) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID114926801
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C2CCC(C)(C)CC2)ncc1Cl
InChIInChI=1S/C16H26ClN3/c1-16(2)7-5-13(6-8-16)20(4)15-9-12(10-18-3)14(17)11-19-15/h9,11,13,18H,5-8,10H2,1-4H3
InChIKeyINHGXZBJMZJXHH-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine
CID 114925859
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
CID 80653292
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926352
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114925273
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 114926801) is 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1cc(N(C)C2CCC(C)(C)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is INHGXZBJMZJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-16(2)7-5-13(6-8-16)20(4)15-9-12(10-18-3)14(17)11-19-15/h9,11,13,18H,5-8,10H2,1-4H3.
What are the key properties of 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114926801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).