3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine

C11H16Cl2N2 — CID 107205302

IUPAC3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
SMILESCN(CCCCCCl)c1ncccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-15(9-4-2-3-7-12)11-10(13)6-5-8-14-11/h5-6,8H,2-4,7,9H2,1H3
InChIKeyQZZVTPKANZJJSA-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.58
Rot. Bonds6

About 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine

3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine (PubChem CID 107205302) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
PubChem CID107205302
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
SMILESCN(CCCCCCl)c1ncccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-15(9-4-2-3-7-12)11-10(13)6-5-8-14-11/h5-6,8H,2-4,7,9H2,1H3
InChIKeyQZZVTPKANZJJSA-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine (CID 107205302) is 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine is CN(CCCCCCl)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine?
The InChIKey is QZZVTPKANZJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-15(9-4-2-3-7-12)11-10(13)6-5-8-14-11/h5-6,8H,2-4,7,9H2,1H3.
What are the key properties of 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine?
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine has a molecular weight of 247.17 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 107205302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).