ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine

C9H21NO — CID 171819179

IUPACethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine
SMILESCC.CNC1(COC)CCC1
InChIInChI=1S/C7H15NO.C2H6/c1-8-7(6-9-2)4-3-5-7;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyYVCVGCVBICCNDD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds3

About ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine

ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine (PubChem CID 171819179) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Nameethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine
PubChem CID171819179
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine
SMILESCC.CNC1(COC)CCC1
InChIInChI=1S/C7H15NO.C2H6/c1-8-7(6-9-2)4-3-5-7;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyYVCVGCVBICCNDD-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine?
The IUPAC name of ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine (CID 171819179) is ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine is CC.CNC1(COC)CCC1.
What is the InChIKey of ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine?
The InChIKey is YVCVGCVBICCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-8-7(6-9-2)4-3-5-7;1-2/h8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine?
ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 171819179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).