5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine

C16H26BrN3 — CID 62287100

IUPAC5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)C1CCC(C)CC1
InChIInChI=1S/C16H26BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-12(2)6-8-15/h9,11-12,15,18H,4-8,10H2,1-3H3
InChIKeyHDKVSFOENOBDLD-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.97
Rot. Bonds5

About 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine

5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine (PubChem CID 62287100) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
PubChem CID62287100
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)C1CCC(C)CC1
InChIInChI=1S/C16H26BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-12(2)6-8-15/h9,11-12,15,18H,4-8,10H2,1-3H3
InChIKeyHDKVSFOENOBDLD-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287804
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine (CID 62287100) is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine is CCNCc1cc(Br)cnc1N(C)C1CCC(C)CC1.
What is the InChIKey of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
The InChIKey is HDKVSFOENOBDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-12(2)6-8-15/h9,11-12,15,18H,4-8,10H2,1-3H3.
What are the key properties of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine?
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine has a molecular weight of 340.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 62287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).