N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine

C16H36N2O — CID 55072257

IUPACN-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCOC)CC(C)CNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(10-11-19-7)13-14(3)12-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3
InChIKeyLOELBONIUAONJI-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds10

About N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine

N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 55072257) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID55072257
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(CCOC)CC(C)CNC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(10-11-19-7)13-14(3)12-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3
InChIKeyLOELBONIUAONJI-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

1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62422187
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
CID 103225490
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62427690
N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
CID 63618872
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine (CID 55072257) is N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine is CCC(CC)N(CCOC)CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is LOELBONIUAONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(9-2)18(10-11-19-7)13-14(3)12-17-16(4,5)6/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine?
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-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'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 55072257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).