3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine

C9H19NO — CID 104587826

IUPAC3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCOC1CC(NCC(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)6-10-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3
InChIKeySHXKLVXHGRJINV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine

3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 104587826) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID104587826
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCOC1CC(NCC(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)6-10-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3
InChIKeySHXKLVXHGRJINV-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine (CID 104587826) is 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine is COC1CC(NCC(C)C)C1.
What is the InChIKey of 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is SHXKLVXHGRJINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)6-10-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine?
3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 104587826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).