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

C14H23BrN2 — CID 104801436

IUPAC1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cncc(Br)c1)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-5-6-17-13(14(2,3)4)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyQSOXDAOJGLLTGO-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.80
Rot. Bonds5

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

1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 104801436) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID104801436
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cncc(Br)c1)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-5-6-17-13(14(2,3)4)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyQSOXDAOJGLLTGO-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758395
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine (CID 104801436) is 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(Cc1cncc(Br)c1)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is QSOXDAOJGLLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-6-17-13(14(2,3)4)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,5-6,8H2,1-4H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine?
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 3.80, 5 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)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 104801436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).