ethane;4-propan-2-yl-4-azaspiro[2.4]heptane

C11H23N — CID 170635118

IUPACethane;4-propan-2-yl-4-azaspiro[2.4]heptane
SMILESCC.CC(C)N1CCCC12CC2
InChIInChI=1S/C9H17N.C2H6/c1-8(2)10-7-3-4-9(10)5-6-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyRVZJXZASIZOVSQ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds1

About ethane;4-propan-2-yl-4-azaspiro[2.4]heptane

ethane;4-propan-2-yl-4-azaspiro[2.4]heptane (PubChem CID 170635118) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;4-propan-2-yl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Nameethane;4-propan-2-yl-4-azaspiro[2.4]heptane
PubChem CID170635118
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;4-propan-2-yl-4-azaspiro[2.4]heptane
SMILESCC.CC(C)N1CCCC12CC2
InChIInChI=1S/C9H17N.C2H6/c1-8(2)10-7-3-4-9(10)5-6-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyRVZJXZASIZOVSQ-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;yttrium
CID 154598875
5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;yttrium
CID 154598738
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
CID 139944450
2-ethenyl-2-methyl-1-propan-2-ylpyrrolidine
CID 129119781
4-propan-2-yl-4-azaspiro[2.6]non-7-ene
CID 178173567
2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 15256959
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316
ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
CID 153357180
4-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 177032629
4-propan-2-yl-7-propyl-4,7-diazaspiro[2.5]octane
CID 121459196

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-4-azaspiro[2.4]heptane?
The IUPAC name of ethane;4-propan-2-yl-4-azaspiro[2.4]heptane (CID 170635118) is ethane;4-propan-2-yl-4-azaspiro[2.4]heptane.
What is the SMILES notation for ethane;4-propan-2-yl-4-azaspiro[2.4]heptane?
The canonical SMILES for ethane;4-propan-2-yl-4-azaspiro[2.4]heptane is CC.CC(C)N1CCCC12CC2.
What is the InChIKey of ethane;4-propan-2-yl-4-azaspiro[2.4]heptane?
The InChIKey is RVZJXZASIZOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-8(2)10-7-3-4-9(10)5-6-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-4-azaspiro[2.4]heptane?
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane has a molecular weight of 169.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 170635118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).