2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C15H23BrN2 — CID 104800079

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Cc2cncc(Br)c2)C1
InChIInChI=1S/C15H23BrN2/c1-10(2)12-3-4-15(17)13(7-12)5-11-6-14(16)9-18-8-11/h6,8-10,12-13,15H,3-5,7,17H2,1-2H3
InChIKeyOQBXUBRUNMHJNE-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.79
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine

2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 104800079) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID104800079
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Cc2cncc(Br)c2)C1
InChIInChI=1S/C15H23BrN2/c1-10(2)12-3-4-15(17)13(7-12)5-11-6-14(16)9-18-8-11/h6,8-10,12-13,15H,3-5,7,17H2,1-2H3
InChIKeyOQBXUBRUNMHJNE-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
2-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401679
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 55191885
N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651487
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
[2-(5-bromo-3-pyridinyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210485

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 104800079) is 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(Cc2cncc(Br)c2)C1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OQBXUBRUNMHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10(2)12-3-4-15(17)13(7-12)5-11-6-14(16)9-18-8-11/h6,8-10,12-13,15H,3-5,7,17H2,1-2H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104800079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).