[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine

C14H28N2 — CID 170008782

IUPAC[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
SMILESCC(C)C(C)N1CCC2(CC1)CC(CN)C2
InChIInChI=1S/C14H28N2/c1-11(2)12(3)16-6-4-14(5-7-16)8-13(9-14)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyZDLXOVBXJSVWNT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds3

About [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine

[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine (PubChem CID 170008782) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
PubChem CID170008782
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
SMILESCC(C)C(C)N1CCC2(CC1)CC(CN)C2
InChIInChI=1S/C14H28N2/c1-11(2)12(3)16-6-4-14(5-7-16)8-13(9-14)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyZDLXOVBXJSVWNT-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine?
The IUPAC name of [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine (CID 170008782) is [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine.
What is the SMILES notation for [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine?
The canonical SMILES for [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine is CC(C)C(C)N1CCC2(CC1)CC(CN)C2.
What is the InChIKey of [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine?
The InChIKey is ZDLXOVBXJSVWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)12(3)16-6-4-14(5-7-16)8-13(9-14)10-15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine?
[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine is sourced from PubChem (CID 170008782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).