6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine

C14H23BrN2 — CID 104812013

IUPAC6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(CCCc1ccc(Br)cn1)C(C)C
InChIInChI=1S/C14H23BrN2/c1-4-16-14(11(2)3)7-5-6-13-9-8-12(15)10-17-13/h8-11,14,16H,4-7H2,1-3H3
InChIKeyBZRSWROMUXUMRU-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.80
Rot. Bonds7

About 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine

6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine (PubChem CID 104812013) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
PubChem CID104812013
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(CCCc1ccc(Br)cn1)C(C)C
InChIInChI=1S/C14H23BrN2/c1-4-16-14(11(2)3)7-5-6-13-9-8-12(15)10-17-13/h8-11,14,16H,4-7H2,1-3H3
InChIKeyBZRSWROMUXUMRU-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777005
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine?
The IUPAC name of 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine (CID 104812013) is 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine.
What is the SMILES notation for 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine?
The canonical SMILES for 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine is CCNC(CCCc1ccc(Br)cn1)C(C)C.
What is the InChIKey of 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine?
The InChIKey is BZRSWROMUXUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-16-14(11(2)3)7-5-6-13-9-8-12(15)10-17-13/h8-11,14,16H,4-7H2,1-3H3.
What are the key properties of 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine?
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine has a molecular weight of 299.26 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 6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine is sourced from PubChem (CID 104812013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).