1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine

C14H23BrN2 — CID 104803172

IUPAC1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(Br)cn1)NC(C)C
InChIInChI=1S/C14H23BrN2/c1-4-5-6-14(17-11(2)3)9-13-8-7-12(15)10-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyCPTLAQNCCXCSIH-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.94
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine

1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine (PubChem CID 104803172) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
PubChem CID104803172
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccc(Br)cn1)NC(C)C
InChIInChI=1S/C14H23BrN2/c1-4-5-6-14(17-11(2)3)9-13-8-7-12(15)10-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyCPTLAQNCCXCSIH-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-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-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine (CID 104803172) is 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1ccc(Br)cn1)NC(C)C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is CPTLAQNCCXCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-6-14(17-11(2)3)9-13-8-7-12(15)10-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine?
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 3.94, 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)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 104803172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).