3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine

C16H36N2O — CID 43147233

IUPAC3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)CC(C)(C)OC)N(C)C
InChIInChI=1S/C16H36N2O/c1-9-14(10-2)15(18(6)7)12-17-13(3)11-16(4,5)19-8/h13-15,17H,9-12H2,1-8H3
InChIKeySQPLABWNOCWNPB-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds10

About 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43147233) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43147233
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)CC(C)(C)OC)N(C)C
InChIInChI=1S/C16H36N2O/c1-9-14(10-2)15(18(6)7)12-17-13(3)11-16(4,5)19-8/h13-15,17H,9-12H2,1-8H3
InChIKeySQPLABWNOCWNPB-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine (CID 43147233) is 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)CC(C)(C)OC)N(C)C.
What is the InChIKey of 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is SQPLABWNOCWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-9-14(10-2)15(18(6)7)12-17-13(3)11-16(4,5)19-8/h13-15,17H,9-12H2,1-8H3.
What are the key properties of 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).