ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

C14H30N2 — CID 164540860

IUPACethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CCN1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H24N2.C2H6/c1-4-13-7-5-12(9-13)6-8-14(10-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyCPBKYJLWLZVFJW-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds2

About ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 164540860) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID164540860
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CCN1CCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H24N2.C2H6/c1-4-13-7-5-12(9-13)6-8-14(10-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyCPBKYJLWLZVFJW-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 164540860) is ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is CC.CCN1CCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is CPBKYJLWLZVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-4-13-7-5-12(9-13)6-8-14(10-12)11(2)3;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 226.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 164540860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).