6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine

C14H23BrN2 — CID 104812007

IUPAC6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-3-8-17-14(4-2)7-5-6-12-9-13(15)11-16-10-12/h9-11,14,17H,3-8H2,1-2H3
InChIKeySMYGQJCSYSSHAD-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.94
Rot. Bonds8

About 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine

6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine (PubChem CID 104812007) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
PubChem CID104812007
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-3-8-17-14(4-2)7-5-6-12-9-13(15)11-16-10-12/h9-11,14,17H,3-8H2,1-2H3
InChIKeySMYGQJCSYSSHAD-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-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-propyldecan-2-amine
CID 105036606
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine (CID 104812007) is 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine is CCCNC(CC)CCCc1cncc(Br)c1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine?
The InChIKey is SMYGQJCSYSSHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-8-17-14(4-2)7-5-6-12-9-13(15)11-16-10-12/h9-11,14,17H,3-8H2,1-2H3.
What are the key properties of 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine?
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine has a molecular weight of 299.26 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine is sourced from PubChem (CID 104812007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).