1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine

C16H36N2O — CID 103226050

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CNC(C)(C)C)COC
InChIInChI=1S/C16H36N2O/c1-8-14(9-2)12-18(10-3)15(13-19-7)11-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3
InChIKeyYXZFGEWHELVBRQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds10

About 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine

1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine (PubChem CID 103226050) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
PubChem CID103226050
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CNC(C)(C)C)COC
InChIInChI=1S/C16H36N2O/c1-8-14(9-2)12-18(10-3)15(13-19-7)11-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3
InChIKeyYXZFGEWHELVBRQ-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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Related Compounds

2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
CID 103225490
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62422722
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
1-N-tert-butyl-2-N-[3-(dimethylamino)propyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226630
1-N-tert-butyl-2-N-(1-cyclopropylethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225720
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine (CID 103226050) is 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine is CCC(CC)CN(CC)C(CNC(C)(C)C)COC.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine?
The InChIKey is YXZFGEWHELVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-14(9-2)12-18(10-3)15(13-19-7)11-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-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 1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 103226050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).