ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine

C11H25NO — CID 145168656

IUPACethane;1-(4-methoxybutan-2-yl)-3-methylazetidine
SMILESCC.COCCC(C)N1CC(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-8-6-10(7-8)9(2)4-5-11-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyZRLPGTGVDVVBMA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds4

About ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine

ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine (PubChem CID 145168656) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine.

Molecular Properties

Compound Nameethane;1-(4-methoxybutan-2-yl)-3-methylazetidine
PubChem CID145168656
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;1-(4-methoxybutan-2-yl)-3-methylazetidine
SMILESCC.COCCC(C)N1CC(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-8-6-10(7-8)9(2)4-5-11-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyZRLPGTGVDVVBMA-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine?
The IUPAC name of ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine (CID 145168656) is ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine.
What is the SMILES notation for ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine?
The canonical SMILES for ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine is CC.COCCC(C)N1CC(C)C1.
What is the InChIKey of ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine?
The InChIKey is ZRLPGTGVDVVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-8-6-10(7-8)9(2)4-5-11-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine?
ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine is sourced from PubChem (CID 145168656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).