N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine

C11H23NO — CID 104870848

IUPACN-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCC(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)5-6-12-9-7-10(8-9)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFTAIOHDCCYLLCL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine

N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine (PubChem CID 104870848) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
PubChem CID104870848
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCC(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)5-6-12-9-7-10(8-9)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyFTAIOHDCCYLLCL-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
N-(2-cyclopentyloxyethyl)-3-methoxycyclobutan-1-amine
CID 104871151
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
CID 106821299
3-methoxy-N-pent-4-ynylcyclobutan-1-amine
CID 104871850
N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62951710
1-[(3-methoxycyclobutyl)amino]pentan-3-ol
CID 104871930
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
N-hex-5-ynyl-3-methoxycyclobutan-1-amine
CID 104871898
2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
CID 104871942

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine (CID 104870848) is N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine is COC1CC(NCCC(C)(C)C)C1.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine?
The InChIKey is FTAIOHDCCYLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)5-6-12-9-7-10(8-9)13-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine?
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104870848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).