N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C18H30N2O — CID 43633039

IUPACN'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C2CC(NCC(C)(C)CN(C)C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,13-20(3)4)12-19-16-10-15(11-16)14-6-8-17(21-5)9-7-14/h6-9,15-16,19H,10-13H2,1-5H3
InChIKeyNARNVQZPLSOODI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.12
Rot. Bonds7

About N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43633039) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43633039
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C2CC(NCC(C)(C)CN(C)C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,13-20(3)4)12-19-16-10-15(11-16)14-6-8-17(21-5)9-7-14/h6-9,15-16,19H,10-13H2,1-5H3
InChIKeyNARNVQZPLSOODI-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292520
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
CID 104651089
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
CID 61285030
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43633039) is N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine is COc1ccc(C2CC(NCC(C)(C)CN(C)C)C2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is NARNVQZPLSOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,13-20(3)4)12-19-16-10-15(11-16)14-6-8-17(21-5)9-7-14/h6-9,15-16,19H,10-13H2,1-5H3.
What are the key properties of N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).