4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane

C38H71N5 — CID 158585795

IUPAC4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane
SMILESCN1CCC2(CC1)CC2.CN1CCC2(CC2)C1.CN1CCCC12CC2.CN1CCCC2(CC2)C1.CN1CCCCC12CC2
InChIInChI=1S/3C8H15N.2C7H13N/c1-9-6-4-8(2-3-8)5-7-9;1-9-6-2-3-8(7-9)4-5-8;1-9-7-3-2-4-8(9)5-6-8;1-8-5-4-7(6-8)2-3-7;1-8-6-2-3-7(8)4-5-7/h3*2-7H2,1H3;2*2-6H2,1H3
InChIKeyHTUSFRKQKJQFHE-UHFFFAOYSA-N
MW598.02 g/mol
LogP6.97
Rot. Bonds

About 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane

4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane (PubChem CID 158585795) has the molecular formula C38H71N5 and a molecular weight of 598.02 g/mol. Its IUPAC name is 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane
PubChem CID158585795
Molecular FormulaC38H71N5
Molecular Weight598.02 g/mol
Exact Mass597.57
IUPAC Name4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane
SMILESCN1CCC2(CC1)CC2.CN1CCC2(CC2)C1.CN1CCCC12CC2.CN1CCCC2(CC2)C1.CN1CCCCC12CC2
InChIInChI=1S/3C8H15N.2C7H13N/c1-9-6-4-8(2-3-8)5-7-9;1-9-6-2-3-8(7-9)4-5-8;1-9-7-3-2-4-8(9)5-6-8;1-8-5-4-7(6-8)2-3-7;1-8-6-2-3-7(8)4-5-7/h3*2-7H2,1H3;2*2-6H2,1H3
InChIKeyHTUSFRKQKJQFHE-UHFFFAOYSA-N
XLogP6.97
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.02
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-3-[3-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-3-methylbutyl]-3-azabicyclo[3.1.0]hexane
CID 126539906
3-[3-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 126657819
(5R)-3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
CID 129146203
3-[(5R)-2-tert-butyl-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-N-[[(5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N,3-dimethylbutan-1-amine
CID 135179021
2-[2-[6-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane
CID 135197149
Ethane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
CID 157312956
2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 158100509
3-Tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane
CID 158420650
1,9-Dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
CID 158480696
Methane;tetrakis(2-methylpropane);5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane
CID 159473326
1,2-Ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159835138
(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-2-azabicyclo[3.1.0]hexane
CID 160453142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane?
The IUPAC name of 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane (CID 158585795) is 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane?
The canonical SMILES for 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane is CN1CCC2(CC1)CC2.CN1CCC2(CC2)C1.CN1CCCC12CC2.CN1CCCC2(CC2)C1.CN1CCCCC12CC2.
What is the InChIKey of 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane?
The InChIKey is HTUSFRKQKJQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H15N.2C7H13N/c1-9-6-4-8(2-3-8)5-7-9;1-9-6-2-3-8(7-9)4-5-8;1-9-7-3-2-4-8(9)5-6-8;1-8-5-4-7(6-8)2-3-7;1-8-6-2-3-7(8)4-5-7/h3*2-7H2,1H3;2*2-6H2,1H3.
What are the key properties of 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane?
4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane has a molecular weight of 598.02 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 158585795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).