[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine

C9H19NO2 — CID 167722061

IUPAC[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine
SMILESCOC(CC1(CN)CCC1)OC
InChIInChI=1S/C9H19NO2/c1-11-8(12-2)6-9(7-10)4-3-5-9/h8H,3-7,10H2,1-2H3
InChIKeyUCHQLOBABAPRTN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds5

About [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine

[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine (PubChem CID 167722061) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine
PubChem CID167722061
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine
SMILESCOC(CC1(CN)CCC1)OC
InChIInChI=1S/C9H19NO2/c1-11-8(12-2)6-9(7-10)4-3-5-9/h8H,3-7,10H2,1-2H3
InChIKeyUCHQLOBABAPRTN-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine (CID 167722061) is [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine is COC(CC1(CN)CCC1)OC.
What is the InChIKey of [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine?
The InChIKey is UCHQLOBABAPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-8(12-2)6-9(7-10)4-3-5-9/h8H,3-7,10H2,1-2H3.
What are the key properties of [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine?
[1-(2,2-dimethoxyethyl)cyclobutyl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethoxyethyl)cyclobutyl]methanamine is sourced from PubChem (CID 167722061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).