1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine

C10H21NO3 — CID 115486785

IUPAC1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCC(OC)OC)C1
InChIInChI=1S/C10H21NO3/c1-11-6-8-4-9(5-8)14-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3
InChIKeyXPWOTVJKBPIKFL-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.62
Rot. Bonds7

About 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine

1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine (PubChem CID 115486785) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
PubChem CID115486785
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCC(OC)OC)C1
InChIInChI=1S/C10H21NO3/c1-11-6-8-4-9(5-8)14-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3
InChIKeyXPWOTVJKBPIKFL-UHFFFAOYSA-N
XLogP0.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106938597
1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106991250
2,2-dimethoxyethoxycyclopropane
CID 174976497
methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
CID 106940433
1-(3-fluorocyclobutyl)-N-methylmethanamine
CID 105430010
1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
CID 107007732
N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
CID 155019686
1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine
CID 82893030
N-methyl-1-[3-[(5-methyl-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 102877286
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106938573
1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106864784
N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine
CID 66360236

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine (CID 115486785) is 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine is CNCC1CC(OCC(OC)OC)C1.
What is the InChIKey of 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine?
The InChIKey is XPWOTVJKBPIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-11-6-8-4-9(5-8)14-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine?
1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine has a molecular weight of 203.28 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 115486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).