1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine

C12H19BrN2 — CID 105036917

IUPAC1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-10(4-2)12(14)6-9-5-11(13)8-15-7-9/h5,7-8,10,12H,3-4,6,14H2,1-2H3
InChIKeyNQWLAWYHXPNKHS-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.15
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine

1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine (PubChem CID 105036917) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
PubChem CID105036917
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
SMILESCCC(CC)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-10(4-2)12(14)6-9-5-11(13)8-15-7-9/h5,7-8,10,12H,3-4,6,14H2,1-2H3
InChIKeyNQWLAWYHXPNKHS-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
CID 116721000
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine (CID 105036917) is 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine is CCC(CC)C(N)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine?
The InChIKey is NQWLAWYHXPNKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-10(4-2)12(14)6-9-5-11(13)8-15-7-9/h5,7-8,10,12H,3-4,6,14H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine?
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.15, 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-ethylpentan-2-amine is sourced from PubChem (CID 105036917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).