N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine

C17H27NO — CID 103699490

IUPACN-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCCC(C)(C)CNC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-5-17(2,3)12-18-15-9-14(10-15)13-7-6-8-16(11-13)19-4/h6-8,11,14-15,18H,5,9-10,12H2,1-4H3
InChIKeyXKIKQCZQWRSCRK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

About N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine

N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 103699490) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
PubChem CID103699490
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCCC(C)(C)CNC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-5-17(2,3)12-18-15-9-14(10-15)13-7-6-8-16(11-13)19-4/h6-8,11,14-15,18H,5,9-10,12H2,1-4H3
InChIKeyXKIKQCZQWRSCRK-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine (CID 103699490) is N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine is CCC(C)(C)CNC1CC(c2cccc(OC)c2)C1.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is XKIKQCZQWRSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(2,3)12-18-15-9-14(10-15)13-7-6-8-16(11-13)19-4/h6-8,11,14-15,18H,5,9-10,12H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 103699490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).