1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine

C16H26BrN3O — CID 104802978

IUPAC1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(Cc1cncc(Br)c1)NC)N1CCOCC1
InChIInChI=1S/C16H26BrN3O/c1-4-16(2,20-5-7-21-8-6-20)15(18-3)10-13-9-14(17)12-19-11-13/h9,11-12,15,18H,4-8,10H2,1-3H3
InChIKeyDTGVFULKFKKLEW-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.48
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine

1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 104802978) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
PubChem CID104802978
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(Cc1cncc(Br)c1)NC)N1CCOCC1
InChIInChI=1S/C16H26BrN3O/c1-4-16(2,20-5-7-21-8-6-20)15(18-3)10-13-9-14(17)12-19-11-13/h9,11-12,15,18H,4-8,10H2,1-3H3
InChIKeyDTGVFULKFKKLEW-UHFFFAOYSA-N
XLogP2.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 104800320
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024
[1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240025
3-(azepan-1-yl)-1-(5-bromo-3-pyridinyl)-N,3-dimethylbutan-2-amine
CID 104802920
1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
CID 104803000
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
1-(2-fluorophenyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 79057627
3-[3-methyl-2-(methylamino)-3-morpholin-4-ylpentyl]pyridin-2-amine
CID 79057851
(3-methyl-3-morpholin-4-yl-1-phenylpentan-2-yl)hydrazine
CID 105241429
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine (CID 104802978) is 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(Cc1cncc(Br)c1)NC)N1CCOCC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is DTGVFULKFKKLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-4-16(2,20-5-7-21-8-6-20)15(18-3)10-13-9-14(17)12-19-11-13/h9,11-12,15,18H,4-8,10H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine?
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 356.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 104802978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).