2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C17H36N2O — CID 65167586

IUPAC2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCOC1CC(NC(CC(C)C)CN(C)C)C1(C)CC
InChIInChI=1S/C17H36N2O/c1-8-17(5)15(11-16(17)20-9-2)18-14(10-13(3)4)12-19(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyNIUWRJCABLLTJA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds9

About 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 65167586) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID65167586
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCOC1CC(NC(CC(C)C)CN(C)C)C1(C)CC
InChIInChI=1S/C17H36N2O/c1-8-17(5)15(11-16(17)20-9-2)18-14(10-13(3)4)12-19(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyNIUWRJCABLLTJA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
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
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol
CID 106159068
N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167622

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 65167586) is 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCOC1CC(NC(CC(C)C)CN(C)C)C1(C)CC.
What is the InChIKey of 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is NIUWRJCABLLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-8-17(5)15(11-16(17)20-9-2)18-14(10-13(3)4)12-19(6)7/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 65167586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).