3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine

C13H19BrN2 — CID 64742040

IUPAC3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCCC(Nc2ncccc2Br)C1
InChIInChI=1S/C13H19BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyAGKGZGFZZVLRLJ-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.22
Rot. Bonds3

About 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine

3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine (PubChem CID 64742040) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
PubChem CID64742040
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCCC(Nc2ncccc2Br)C1
InChIInChI=1S/C13H19BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyAGKGZGFZZVLRLJ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide
CID 64749813
8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
CID 64742243
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
CID 130964368
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
CID 83166347
N-(3-ethylcyclohexyl)-1H-imidazol-2-amine
CID 106574900
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
CID 79400017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine (CID 64742040) is 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine is CCC1CCCC(Nc2ncccc2Br)C1.
What is the InChIKey of 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine?
The InChIKey is AGKGZGFZZVLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine?
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 64742040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).