3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine

C14H22BrN3 — CID 62300161

IUPAC3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1CN)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h8,10,13H,2-7,9,16H2,1H3
InChIKeyWZUWYOSSZVNZEE-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.46
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine (PubChem CID 62300161) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
PubChem CID62300161
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1CN)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h8,10,13H,2-7,9,16H2,1H3
InChIKeyWZUWYOSSZVNZEE-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-2-N-cyclopropyl-2-N-ethylpyridine-2,3-diamine
CID 61228482
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
CID 104531564
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine (CID 62300161) is 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine is CCN(c1ncc(Br)cc1CN)C1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine?
The InChIKey is WZUWYOSSZVNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h8,10,13H,2-7,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine has a molecular weight of 312.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 62300161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).