5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine

C11H14Cl2N2 — CID 102871738

IUPAC5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine
SMILESClCCN(c1ccc(Cl)cn1)C1CCC1
InChIInChI=1S/C11H14Cl2N2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2
InChIKeyVELNETHWSVHKTN-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.33
Rot. Bonds4

About 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine

5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine (PubChem CID 102871738) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine
PubChem CID102871738
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine
SMILESClCCN(c1ccc(Cl)cn1)C1CCC1
InChIInChI=1S/C11H14Cl2N2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2
InChIKeyVELNETHWSVHKTN-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine (CID 102871738) is 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine is ClCCN(c1ccc(Cl)cn1)C1CCC1.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine?
The InChIKey is VELNETHWSVHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine?
5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine has a molecular weight of 245.15 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine is sourced from PubChem (CID 102871738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).