6-methyl-1,6-diazaspiro[2.4]heptane

C6H12N2 — CID 148820818

IUPAC6-methyl-1,6-diazaspiro[2.4]heptane
SMILESCN1CCC2(CN2)C1
InChIInChI=1S/C6H12N2/c1-8-3-2-6(5-8)4-7-6/h7H,2-5H2,1H3
InChIKeyORTATYAYTAYMRN-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.34
Rot. Bonds

About 6-methyl-1,6-diazaspiro[2.4]heptane

6-methyl-1,6-diazaspiro[2.4]heptane (PubChem CID 148820818) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 6-methyl-1,6-diazaspiro[2.4]heptane.

Molecular Properties

Compound Name6-methyl-1,6-diazaspiro[2.4]heptane
PubChem CID148820818
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name6-methyl-1,6-diazaspiro[2.4]heptane
SMILESCN1CCC2(CN2)C1
InChIInChI=1S/C6H12N2/c1-8-3-2-6(5-8)4-7-6/h7H,2-5H2,1H3
InChIKeyORTATYAYTAYMRN-UHFFFAOYSA-N
XLogP-0.34
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylpyrrolidin-3-amine dihydrochloride
CID 69960100
N,N,3-trimethylpyrrolidin-3-amine dihydrochloride
CID 132372480
3-Methylpyrrolidin-3-amine
CID 15595853
(3R)-1,3-dimethylpyrrolidin-3-amine
CID 68271623
1,3-Dimethylpyrrolidin-3-amine
CID 20763627
3-(fluoromethyl)-N-methylpyrrolidin-3-amine
CID 22359919
N,N,3-trimethylpyrrolidin-3-amine
CID 45489883
(3R)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine
CID 54390410
(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine
CID 54390411
2,2-Difluoro-6-methyl-1,6-diazaspiro[2.4]heptane
CID 156640035
(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine
CID 163443582
N-(2-fluoroethyl)-3-methylpyrrolidin-3-amine
CID 107424209

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,6-diazaspiro[2.4]heptane?
The IUPAC name of 6-methyl-1,6-diazaspiro[2.4]heptane (CID 148820818) is 6-methyl-1,6-diazaspiro[2.4]heptane.
What is the SMILES notation for 6-methyl-1,6-diazaspiro[2.4]heptane?
The canonical SMILES for 6-methyl-1,6-diazaspiro[2.4]heptane is CN1CCC2(CN2)C1.
What is the InChIKey of 6-methyl-1,6-diazaspiro[2.4]heptane?
The InChIKey is ORTATYAYTAYMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-3-2-6(5-8)4-7-6/h7H,2-5H2,1H3.
What are the key properties of 6-methyl-1,6-diazaspiro[2.4]heptane?
6-methyl-1,6-diazaspiro[2.4]heptane has a molecular weight of 112.18 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,6-diazaspiro[2.4]heptane is sourced from PubChem (CID 148820818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).