3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine

C14H21BrN2 — CID 104776939

IUPAC3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
SMILESCCCC1CCC(Nc2ccncc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15/h8-12H,2-7H2,1H3,(H,16,17)
InChIKeyAANGRHDYWMOWFE-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.61
Rot. Bonds4

About 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine

3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine (PubChem CID 104776939) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
PubChem CID104776939
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
SMILESCCCC1CCC(Nc2ccncc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15/h8-12H,2-7H2,1H3,(H,16,17)
InChIKeyAANGRHDYWMOWFE-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(4-propylcyclohexyl)pyridin-3-amine
CID 63464553
4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
CID 104776650
4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81244619
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
CID 130719191
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
2-iodo-N-(4-propylcyclohexyl)aniline
CID 28977854
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine (CID 104776939) is 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine is CCCC1CCC(Nc2ccncc2Br)CC1.
What is the InChIKey of 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine?
The InChIKey is AANGRHDYWMOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15/h8-12H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine?
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 104776939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).