1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine

C17H27BrN2 — CID 105036172

IUPAC1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cn1)CC1CCCCC1
InChIInChI=1S/C17H27BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h8-9,13-14,17,19H,2-7,10-12H2,1H3
InChIKeyHNGDUAXPCMYXAV-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.73
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine (PubChem CID 105036172) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
PubChem CID105036172
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cn1)CC1CCCCC1
InChIInChI=1S/C17H27BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h8-9,13-14,17,19H,2-7,10-12H2,1H3
InChIKeyHNGDUAXPCMYXAV-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107190842
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine (CID 105036172) is 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine is CCCNC(Cc1ccc(Br)cn1)CC1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine?
The InChIKey is HNGDUAXPCMYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-2-10-19-17(11-14-6-4-3-5-7-14)12-16-9-8-15(18)13-20-16/h8-9,13-14,17,19H,2-7,10-12H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine is sourced from PubChem (CID 105036172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).