6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine

C12H24N4 — CID 177240441

IUPAC6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine
SMILESCN(C1CCNCC1)C1CC2(C1)CN(N)C2
InChIInChI=1S/C12H24N4/c1-15(10-2-4-14-5-3-10)11-6-12(7-11)8-16(13)9-12/h10-11,14H,2-9,13H2,1H3
InChIKeyNUIHUHAAXIWOKU-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.01
Rot. Bonds2

About 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine

6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine (PubChem CID 177240441) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine
PubChem CID177240441
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine
SMILESCN(C1CCNCC1)C1CC2(C1)CN(N)C2
InChIInChI=1S/C12H24N4/c1-15(10-2-4-14-5-3-10)11-6-12(7-11)8-16(13)9-12/h10-11,14H,2-9,13H2,1H3
InChIKeyNUIHUHAAXIWOKU-UHFFFAOYSA-N
XLogP0.01
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine (CID 177240441) is 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine is CN(C1CCNCC1)C1CC2(C1)CN(N)C2.
What is the InChIKey of 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine?
The InChIKey is NUIHUHAAXIWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-15(10-2-4-14-5-3-10)11-6-12(7-11)8-16(13)9-12/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine?
6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-piperidin-4-yl-2-azaspiro[3.3]heptane-2,6-diamine is sourced from PubChem (CID 177240441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).