ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane

C15H37NO — CID 156885032

IUPACethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
SMILESC.CC.CCC.CCOCCCN1CCCC1
InChIInChI=1S/C9H19NO.C3H8.C2H6.CH4/c1-2-11-9-5-8-10-6-3-4-7-10;1-3-2;1-2;/h2-9H2,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyRFGQKHZRVZBTCK-UHFFFAOYSA-N
MW247.47 g/mol
LogP4.59
Rot. Bonds5

About ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane

ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane (PubChem CID 156885032) has the molecular formula C15H37NO and a molecular weight of 247.47 g/mol. Its IUPAC name is ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane.

Molecular Properties

Compound Nameethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
PubChem CID156885032
Molecular FormulaC15H37NO
Molecular Weight247.47 g/mol
Exact Mass247.29
IUPAC Nameethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
SMILESC.CC.CCC.CCOCCCN1CCCC1
InChIInChI=1S/C9H19NO.C3H8.C2H6.CH4/c1-2-11-9-5-8-10-6-3-4-7-10;1-3-2;1-2;/h2-9H2,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyRFGQKHZRVZBTCK-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 54.59
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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Related Compounds

1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-(2-ethoxyethyl)piperidine
CID 22622871
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
CID 142367464
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
CID 171081654

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane?
The IUPAC name of ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane (CID 156885032) is ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane.
What is the SMILES notation for ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane?
The canonical SMILES for ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane is C.CC.CCC.CCOCCCN1CCCC1.
What is the InChIKey of ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane?
The InChIKey is RFGQKHZRVZBTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C3H8.C2H6.CH4/c1-2-11-9-5-8-10-6-3-4-7-10;1-3-2;1-2;/h2-9H2,1H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane?
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane has a molecular weight of 247.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane is sourced from PubChem (CID 156885032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).