3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine

C12H17BrN2 — CID 104777077

IUPAC3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Br)C1CCCC1
InChIInChI=1S/C12H17BrN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyNHURQAJBOZQRBN-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine

3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine (PubChem CID 104777077) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
PubChem CID104777077
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Br)C1CCCC1
InChIInChI=1S/C12H17BrN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyNHURQAJBOZQRBN-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
CID 79840715
3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
CID 104777009
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
N-(1-cyclohexylethyl)quinolin-4-amine
CID 63541364
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine (CID 104777077) is 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine is CC(Nc1ccncc1Br)C1CCCC1.
What is the InChIKey of 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine?
The InChIKey is NHURQAJBOZQRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine?
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine has a molecular weight of 269.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine is sourced from PubChem (CID 104777077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).