3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride

C11H24ClNO — CID 71755574

IUPAC3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C1(CC)CC.Cl
InChIInChI=1S/C11H23NO.ClH/c1-5-11(6-2)9(12-4)8-10(11)13-7-3;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyJKIRMFRWTCKVQZ-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.61
Rot. Bonds5

About 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride

3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 71755574) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID71755574
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride
SMILESCCOC1CC(NC)C1(CC)CC.Cl
InChIInChI=1S/C11H23NO.ClH/c1-5-11(6-2)9(12-4)8-10(11)13-7-3;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyJKIRMFRWTCKVQZ-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride
CID 53621896
3-Ethoxy-2,2-diethylcyclobutan-1-amine
CID 64568592
2,2-Diethyl-3-methoxycyclobutan-1-amine
CID 66358177
3-ethoxy-N-methylspiro[3.3]heptan-1-amine hydrochloride
CID 71756381
2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride
CID 71756393
2,2-Diethyl-3-methoxy-4-methylcyclobutan-1-amine
CID 71757966
rac-(1R,3S)-3-ethoxy-N-methylspiro(3.4)octan-1-amine hydrochloride
CID 137951510
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 65169660
3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 65170651
N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66349871
N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66349872

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride (CID 71755574) is 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride is CCOC1CC(NC)C1(CC)CC.Cl.
What is the InChIKey of 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is JKIRMFRWTCKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c1-5-11(6-2)9(12-4)8-10(11)13-7-3;/h9-10,12H,5-8H2,1-4H3;1H.
What are the key properties of 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride?
3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 71755574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).