3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine

C12H16ClN3 — CID 165403446

IUPAC3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine
SMILESNc1nc(Cl)ccc1CN1CC2(CCC2)C1
InChIInChI=1S/C12H16ClN3/c13-10-3-2-9(11(14)15-10)6-16-7-12(8-16)4-1-5-12/h2-3H,1,4-8H2,(H2,14,15)
InChIKeyCVOWBBZCEGANMF-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.30
Rot. Bonds2

About 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine

3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine (PubChem CID 165403446) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine
PubChem CID165403446
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine
SMILESNc1nc(Cl)ccc1CN1CC2(CCC2)C1
InChIInChI=1S/C12H16ClN3/c13-10-3-2-9(11(14)15-10)6-16-7-12(8-16)4-1-5-12/h2-3H,1,4-8H2,(H2,14,15)
InChIKeyCVOWBBZCEGANMF-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine (CID 165403446) is 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine is Nc1nc(Cl)ccc1CN1CC2(CCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine?
The InChIKey is CVOWBBZCEGANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-10-3-2-9(11(14)15-10)6-16-7-12(8-16)4-1-5-12/h2-3H,1,4-8H2,(H2,14,15).
What are the key properties of 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine?
3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine has a molecular weight of 237.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine is sourced from PubChem (CID 165403446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).