1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H27BrN2 — CID 104802710

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2/c1-4-16(2,3)14-5-7-17(19,8-6-14)10-13-9-15(18)12-20-11-13/h9,11-12,14H,4-8,10,19H2,1-3H3
InChIKeyMJIHKZBYMNBKRH-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.71
Rot. Bonds4

About 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 104802710) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID104802710
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2/c1-4-16(2,3)14-5-7-17(19,8-6-14)10-13-9-15(18)12-20-11-13/h9,11-12,14H,4-8,10,19H2,1-3H3
InChIKeyMJIHKZBYMNBKRH-UHFFFAOYSA-N
XLogP4.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-[(3,4-dichlorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407520
1-[1-[(5-bromo-3-pyridinyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 104810634
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104810728
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
[1-[(5-bromo-3-pyridinyl)methyl]-4-butylcyclohexyl]methanol
CID 104813121
1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
CID 104802735
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
CID 66271811

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 104802710) is 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(Cc2cncc(Br)c2)CC1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is MJIHKZBYMNBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-16(2,3)14-5-7-17(19,8-6-14)10-13-9-15(18)12-20-11-13/h9,11-12,14H,4-8,10,19H2,1-3H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 104802710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).