2-methyl-5-azaspiro[2.4]heptane

C7H13N — CID 91206231

IUPAC2-methyl-5-azaspiro[2.4]heptane
SMILESCC1CC12CCNC2
InChIInChI=1S/C7H13N/c1-6-4-7(6)2-3-8-5-7/h6,8H,2-5H2,1H3
InChIKeyTWWHQQDRFCCXFG-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds

About 2-methyl-5-azaspiro[2.4]heptane

2-methyl-5-azaspiro[2.4]heptane (PubChem CID 91206231) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-methyl-5-azaspiro[2.4]heptane
PubChem CID91206231
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methyl-5-azaspiro[2.4]heptane
SMILESCC1CC12CCNC2
InChIInChI=1S/C7H13N/c1-6-4-7(6)2-3-8-5-7/h6,8H,2-5H2,1H3
InChIKeyTWWHQQDRFCCXFG-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2,8-diazaspiro[4.5]decane
CID 83680090
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
(2S)-2-methylspiro[2.2]pentane
CID 153461113
2-cyclopentyl-5-azaspiro[2.4]heptane
CID 115013095
2-(5-azaspiro[2.4]heptan-2-yl)-N-methylethanamine
CID 84650037
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
5,9-dimethyl-3-azaspiro[5.5]undecane
CID 79320887
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
2-(oxan-4-yl)-5-azaspiro[2.4]heptane
CID 115016004
2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
CID 115015784
methanamine;7-methyl-5-azaspiro[2.4]heptane
CID 142211160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 2-methyl-5-azaspiro[2.4]heptane (CID 91206231) is 2-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-methyl-5-azaspiro[2.4]heptane is CC1CC12CCNC2.
What is the InChIKey of 2-methyl-5-azaspiro[2.4]heptane?
The InChIKey is TWWHQQDRFCCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-7(6)2-3-8-5-7/h6,8H,2-5H2,1H3.
What are the key properties of 2-methyl-5-azaspiro[2.4]heptane?
2-methyl-5-azaspiro[2.4]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 91206231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).