ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane

C17H35NO — CID 164567078

IUPACethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane
SMILESCC.CCOCCCC1CC2(CCN(CC)CC2)C1
InChIInChI=1S/C15H29NO.C2H6/c1-3-16-9-7-15(8-10-16)12-14(13-15)6-5-11-17-4-2;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyMPNOKVIHMKHSPV-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.34
Rot. Bonds6

About ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane

ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane (PubChem CID 164567078) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane
PubChem CID164567078
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane
SMILESCC.CCOCCCC1CC2(CCN(CC)CC2)C1
InChIInChI=1S/C15H29NO.C2H6/c1-3-16-9-7-15(8-10-16)12-14(13-15)6-5-11-17-4-2;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyMPNOKVIHMKHSPV-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane (CID 164567078) is ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane is CC.CCOCCCC1CC2(CCN(CC)CC2)C1.
What is the InChIKey of ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane?
The InChIKey is MPNOKVIHMKHSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H6/c1-3-16-9-7-15(8-10-16)12-14(13-15)6-5-11-17-4-2;1-2/h14H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane?
ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane has a molecular weight of 269.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 164567078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).