1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C18H38N2O — CID 65168235

IUPAC1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCOC1CC(NCC(C(CC)CC)N(C)C)C1(C)CC
InChIInChI=1S/C18H38N2O/c1-8-14(9-2)15(20(6)7)13-19-16-12-17(21-11-4)18(16,5)10-3/h14-17,19H,8-13H2,1-7H3
InChIKeyGPXOWZMXPOLOKC-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds10

About 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 65168235) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID65168235
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCOC1CC(NCC(C(CC)CC)N(C)C)C1(C)CC
InChIInChI=1S/C18H38N2O/c1-8-14(9-2)15(20(6)7)13-19-16-12-17(21-11-4)18(16,5)10-3/h14-17,19H,8-13H2,1-7H3
InChIKeyGPXOWZMXPOLOKC-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 65169555
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 106289842
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-ethoxy-2-ethyl-N-hexan-3-yl-2-methylcyclobutan-1-amine
CID 65169181

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 65168235) is 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCOC1CC(NCC(C(CC)CC)N(C)C)C1(C)CC.
What is the InChIKey of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is GPXOWZMXPOLOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-8-14(9-2)15(20(6)7)13-19-16-12-17(21-11-4)18(16,5)10-3/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 65168235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).