5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine

C15H24ClN3 — CID 114925859

IUPAC5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C2CCCC(C)C2)ncc1Cl
InChIInChI=1S/C15H24ClN3/c1-11-5-4-6-13(7-11)19(3)15-8-12(9-17-2)14(16)10-18-15/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyTWHSTMHPMCPGRN-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine

5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine (PubChem CID 114925859) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine
PubChem CID114925859
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C2CCCC(C)C2)ncc1Cl
InChIInChI=1S/C15H24ClN3/c1-11-5-4-6-13(7-11)19(3)15-8-12(9-17-2)14(16)10-18-15/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyTWHSTMHPMCPGRN-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926801
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226
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
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 62282878
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine
CID 54949364
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine (CID 114925859) is 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine is CNCc1cc(N(C)C2CCCC(C)C2)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine?
The InChIKey is TWHSTMHPMCPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11-5-4-6-13(7-11)19(3)15-8-12(9-17-2)14(16)10-18-15/h8,10-11,13,17H,4-7,9H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine?
5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 114925859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).