1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine

C15H23BrN2 — CID 105036506

IUPAC1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cn1)C(C)C1CC1
InChIInChI=1S/C15H23BrN2/c1-3-8-17-15(11(2)12-4-5-12)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyQXBVAKMCJODNAE-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.80
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine

1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 105036506) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID105036506
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)cn1)C(C)C1CC1
InChIInChI=1S/C15H23BrN2/c1-3-8-17-15(11(2)12-4-5-12)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyQXBVAKMCJODNAE-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
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-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine (CID 105036506) is 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(Br)cn1)C(C)C1CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is QXBVAKMCJODNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-8-17-15(11(2)12-4-5-12)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.80, 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-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 105036506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).