(3S)-3-methyl-2-azaspiro[3.3]heptane

C7H13N — CID 170732602

IUPAC(3S)-3-methyl-2-azaspiro[3.3]heptane
SMILESC[C@@H]1NCC12CCC2
InChIInChI=1S/C7H13N/c1-6-7(5-8-6)3-2-4-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyGHUSOFKPRXASFQ-LURJTMIESA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About (3S)-3-methyl-2-azaspiro[3.3]heptane

(3S)-3-methyl-2-azaspiro[3.3]heptane (PubChem CID 170732602) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3S)-3-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name(3S)-3-methyl-2-azaspiro[3.3]heptane
PubChem CID170732602
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3S)-3-methyl-2-azaspiro[3.3]heptane
SMILESC[C@@H]1NCC12CCC2
InChIInChI=1S/C7H13N/c1-6-7(5-8-6)3-2-4-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyGHUSOFKPRXASFQ-LURJTMIESA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-methyl-2-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of (3S)-3-methyl-2-azaspiro[3.3]heptane (CID 170732602) is (3S)-3-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for (3S)-3-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for (3S)-3-methyl-2-azaspiro[3.3]heptane is C[C@@H]1NCC12CCC2.
What is the InChIKey of (3S)-3-methyl-2-azaspiro[3.3]heptane?
The InChIKey is GHUSOFKPRXASFQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N/c1-6-7(5-8-6)3-2-4-7/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-2-azaspiro[3.3]heptane?
(3S)-3-methyl-2-azaspiro[3.3]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170732602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).