(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane

C13H25N — CID 164942004

IUPAC(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1CC2(CCCCC2)CN1C
InChIInChI=1S/C13H25N/c1-11(2)12-9-13(10-14(12)3)7-5-4-6-8-13/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyLGOUHCAIXSTIMU-LBPRGKRZSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds1

About (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane

(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane (PubChem CID 164942004) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
PubChem CID164942004
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1CC2(CCCCC2)CN1C
InChIInChI=1S/C13H25N/c1-11(2)12-9-13(10-14(12)3)7-5-4-6-8-13/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyLGOUHCAIXSTIMU-LBPRGKRZSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane?
The IUPAC name of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane (CID 164942004) is (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane?
The canonical SMILES for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane is CC(C)[C@@H]1CC2(CCCCC2)CN1C.
What is the InChIKey of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane?
The InChIKey is LGOUHCAIXSTIMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)12-9-13(10-14(12)3)7-5-4-6-8-13/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane?
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane has a molecular weight of 195.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane is sourced from PubChem (CID 164942004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).