4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride

C13H27ClN2O2 — CID 119342989

IUPAC4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CCCN)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15(4)11(16)7-6-8-14;/h10H,6-9,14H2,1-5H3;1H
InChIKeyLUVFTQYRWVRIBH-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.81
Rot. Bonds5

About 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride

4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride (PubChem CID 119342989) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
PubChem CID119342989
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CCCN)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15(4)11(16)7-6-8-14;/h10H,6-9,14H2,1-5H3;1H
InChIKeyLUVFTQYRWVRIBH-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride (CID 119342989) is 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride is COC1(C)CC(N(C)C(=O)CCCN)C1(C)C.Cl.
What is the InChIKey of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The InChIKey is LUVFTQYRWVRIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15(4)11(16)7-6-8-14;/h10H,6-9,14H2,1-5H3;1H.
What are the key properties of 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119342989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).