3-butoxy-2,2-dimethylcyclobutan-1-amine

C10H21NO — CID 66356849

IUPAC3-butoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCCCOC1CC(N)C1(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-12-9-7-8(11)10(9,2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyYFXMXNXPRBEEAF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 3-butoxy-2,2-dimethylcyclobutan-1-amine

3-butoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 66356849) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-butoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID66356849
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-butoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCCCOC1CC(N)C1(C)C
InChIInChI=1S/C10H21NO/c1-4-5-6-12-9-7-8(11)10(9,2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyYFXMXNXPRBEEAF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-butoxy-2,2-dimethylcyclobutan-1-amine (CID 66356849) is 3-butoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-butoxy-2,2-dimethylcyclobutan-1-amine is CCCCOC1CC(N)C1(C)C.
What is the InChIKey of 3-butoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YFXMXNXPRBEEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-12-9-7-8(11)10(9,2)3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 3-butoxy-2,2-dimethylcyclobutan-1-amine?
3-butoxy-2,2-dimethylcyclobutan-1-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 3-butoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66356849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).