2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine

C16H36N2O — CID 103226048

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CNCC(C)C)COC
InChIInChI=1S/C16H36N2O/c1-7-15(8-2)12-18(9-3)16(13-19-6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyPUTUIRZCWIJTTK-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.01
Rot. Bonds12

About 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103226048) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103226048
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CNCC(C)C)COC
InChIInChI=1S/C16H36N2O/c1-7-15(8-2)12-18(9-3)16(13-19-6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyPUTUIRZCWIJTTK-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103227433
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 142902659
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019378

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine (CID 103226048) is 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine is CCC(CC)CN(CC)C(CNCC(C)C)COC.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is PUTUIRZCWIJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-15(8-2)12-18(9-3)16(13-19-6)11-17-10-14(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103226048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).