3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine

C14H21BrN2 — CID 104777079

IUPAC3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
SMILESCC1CCCC(CCNc2ccncc2Br)C1
InChIInChI=1S/C14H21BrN2/c1-11-3-2-4-12(9-11)5-8-17-14-6-7-16-10-13(14)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyYIKNVIQNEWSPCE-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.47
Rot. Bonds4

About 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine

3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine (PubChem CID 104777079) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
PubChem CID104777079
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
SMILESCC1CCCC(CCNc2ccncc2Br)C1
InChIInChI=1S/C14H21BrN2/c1-11-3-2-4-12(9-11)5-8-17-14-6-7-16-10-13(14)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyYIKNVIQNEWSPCE-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
CID 104777475
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070287
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332
3-amino-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070285
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
1-methyl-N-[2-(3-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 103385635
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine (CID 104777079) is 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine is CC1CCCC(CCNc2ccncc2Br)C1.
What is the InChIKey of 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine?
The InChIKey is YIKNVIQNEWSPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-3-2-4-12(9-11)5-8-17-14-6-7-16-10-13(14)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine?
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 104777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).