3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

C11H16Cl2N2 — CID 63388310

IUPAC3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ncccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-9(2)15(8-4-6-12)11-10(13)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyDIXVKYUUEMXNJL-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.58
Rot. Bonds5

About 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 63388310) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID63388310
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ncccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-9(2)15(8-4-6-12)11-10(13)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyDIXVKYUUEMXNJL-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 80670684
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733810
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (CID 63388310) is 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CCCCl)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is DIXVKYUUEMXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-9(2)15(8-4-6-12)11-10(13)5-3-7-14-11/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 247.17 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 63388310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).