1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride

C10H15Cl3N2 — CID 146049193

IUPAC1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(Cc2cccc(Cl)n2)CCC1
InChIInChI=1S/C10H13ClN2.2ClH/c11-9-4-1-3-8(13-9)7-10(12)5-2-6-10;;/h1,3-4H,2,5-7,12H2;2*1H
InChIKeyVJNLNWPYNXXELV-UHFFFAOYSA-N
MW269.60 g/mol
LogP3.00
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride

1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride (PubChem CID 146049193) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride
PubChem CID146049193
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(Cc2cccc(Cl)n2)CCC1
InChIInChI=1S/C10H13ClN2.2ClH/c11-9-4-1-3-8(13-9)7-10(12)5-2-6-10;;/h1,3-4H,2,5-7,12H2;2*1H
InChIKeyVJNLNWPYNXXELV-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride (CID 146049193) is 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1(Cc2cccc(Cl)n2)CCC1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is VJNLNWPYNXXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2.2ClH/c11-9-4-1-3-8(13-9)7-10(12)5-2-6-10;;/h1,3-4H,2,5-7,12H2;2*1H.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride?
1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 146049193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).