1-cyclobutyl-3-methoxy-3-methylbutan-2-amine

C10H21NO — CID 79197893

IUPAC1-cyclobutyl-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)CC1CCC1
InChIInChI=1S/C10H21NO/c1-10(2,12-3)9(11)7-8-5-4-6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyLZVHFEUGBVRXKC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine

1-cyclobutyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197893) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-methoxy-3-methylbutan-2-amine
PubChem CID79197893
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-cyclobutyl-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)CC1CCC1
InChIInChI=1S/C10H21NO/c1-10(2,12-3)9(11)7-8-5-4-6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyLZVHFEUGBVRXKC-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine (CID 79197893) is 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is LZVHFEUGBVRXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,12-3)9(11)7-8-5-4-6-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine?
1-cyclobutyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).