5-methyl-1-azaspiro[2.4]heptane

C7H13N — CID 142790664

IUPAC5-methyl-1-azaspiro[2.4]heptane
SMILESCC1CCC2(CN2)C1
InChIInChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8-7/h6,8H,2-5H2,1H3
InChIKeyOJZIFPPZBAELAO-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 5-methyl-1-azaspiro[2.4]heptane

5-methyl-1-azaspiro[2.4]heptane (PubChem CID 142790664) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5-methyl-1-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-methyl-1-azaspiro[2.4]heptane
PubChem CID142790664
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5-methyl-1-azaspiro[2.4]heptane
SMILESCC1CCC2(CN2)C1
InChIInChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8-7/h6,8H,2-5H2,1H3
InChIKeyOJZIFPPZBAELAO-UHFFFAOYSA-N
XLogP1.15
TPSA21.94 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(7R)-7-methyl-4-azaspiro[2.5]octane
CID 155722557
8-methyl-5-azaspiro[3.5]nonane
CID 89432250
ethane;(8S)-8-methyl-5-azaspiro[3.5]nonane
CID 169125658
6-methyl-1-azaspiro[3.3]heptane
CID 103565322
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
6-methyl-4-azaspiro[2.4]heptane;hydrochloride
CID 71744005
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
1,2,6-trimethylspiro[2.4]heptane
CID 123183171
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
3-methyl-1-azaspiro[4.5]decane
CID 154321792

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-azaspiro[2.4]heptane?
The IUPAC name of 5-methyl-1-azaspiro[2.4]heptane (CID 142790664) is 5-methyl-1-azaspiro[2.4]heptane.
What is the SMILES notation for 5-methyl-1-azaspiro[2.4]heptane?
The canonical SMILES for 5-methyl-1-azaspiro[2.4]heptane is CC1CCC2(CN2)C1.
What is the InChIKey of 5-methyl-1-azaspiro[2.4]heptane?
The InChIKey is OJZIFPPZBAELAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-2-3-7(4-6)5-8-7/h6,8H,2-5H2,1H3.
What are the key properties of 5-methyl-1-azaspiro[2.4]heptane?
5-methyl-1-azaspiro[2.4]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 5-methyl-1-azaspiro[2.4]heptane is sourced from PubChem (CID 142790664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).