N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine

C16H36N2O — CID 62259971

IUPACN-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CCOC
InChIInChI=1S/C16H36N2O/c1-8-10-16(6,13-17-15(3,4)5)14-18(9-2)11-12-19-7/h17H,8-14H2,1-7H3
InChIKeyXTCGOZZQNWFTIS-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds10

About N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine

N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine (PubChem CID 62259971) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
PubChem CID62259971
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CCOC
InChIInChI=1S/C16H36N2O/c1-8-10-16(6,13-17-15(3,4)5)14-18(9-2)11-12-19-7/h17H,8-14H2,1-7H3
InChIKeyXTCGOZZQNWFTIS-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-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
CID 55051933
N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
CID 63494621
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 62261172
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 65003436
2-(tert-butylamino)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 112727456
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
CID 65177873
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
N-tert-butyl-N'-(1-cyclopropylethyl)-2-ethyl-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 62261018

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine (CID 62259971) is N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(CC)CCOC.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine?
The InChIKey is XTCGOZZQNWFTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-10-16(6,13-17-15(3,4)5)14-18(9-2)11-12-19-7/h17H,8-14H2,1-7H3.
What are the key properties of N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine?
N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-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 N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62259971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).