6-propan-2-yl-1,6-diazaspiro[2.4]heptane

C8H16N2 — CID 155640500

IUPAC6-propan-2-yl-1,6-diazaspiro[2.4]heptane
SMILESCC(C)N1CCC2(CN2)C1
InChIInChI=1S/C8H16N2/c1-7(2)10-4-3-8(6-10)5-9-8/h7,9H,3-6H2,1-2H3
InChIKeyNMILGVRPGSXKDN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About 6-propan-2-yl-1,6-diazaspiro[2.4]heptane

6-propan-2-yl-1,6-diazaspiro[2.4]heptane (PubChem CID 155640500) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-propan-2-yl-1,6-diazaspiro[2.4]heptane.

Molecular Properties

Compound Name6-propan-2-yl-1,6-diazaspiro[2.4]heptane
PubChem CID155640500
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name6-propan-2-yl-1,6-diazaspiro[2.4]heptane
SMILESCC(C)N1CCC2(CN2)C1
InChIInChI=1S/C8H16N2/c1-7(2)10-4-3-8(6-10)5-9-8/h7,9H,3-6H2,1-2H3
InChIKeyNMILGVRPGSXKDN-UHFFFAOYSA-N
XLogP0.44
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
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

6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
CID 97174895
3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
CID 80500770
4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
CID 139359285
6-propan-2-yl-4,6-diazaspiro[2.4]heptane
CID 167340247
molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,6-diazaspiro[2.4]heptane?
The IUPAC name of 6-propan-2-yl-1,6-diazaspiro[2.4]heptane (CID 155640500) is 6-propan-2-yl-1,6-diazaspiro[2.4]heptane.
What is the SMILES notation for 6-propan-2-yl-1,6-diazaspiro[2.4]heptane?
The canonical SMILES for 6-propan-2-yl-1,6-diazaspiro[2.4]heptane is CC(C)N1CCC2(CN2)C1.
What is the InChIKey of 6-propan-2-yl-1,6-diazaspiro[2.4]heptane?
The InChIKey is NMILGVRPGSXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10-4-3-8(6-10)5-9-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,6-diazaspiro[2.4]heptane?
6-propan-2-yl-1,6-diazaspiro[2.4]heptane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,6-diazaspiro[2.4]heptane is sourced from PubChem (CID 155640500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).