N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C12H28N2O — CID 62557559

IUPACN-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-12(2,3)6-7-13-8-9-14(4)10-11-15-5/h13H,6-11H2,1-5H3
InChIKeyXZEWRXRKHKUQAP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds8

About N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62557559) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62557559
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-12(2,3)6-7-13-8-9-14(4)10-11-15-5/h13H,6-11H2,1-5H3
InChIKeyXZEWRXRKHKUQAP-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine
CID 142009573

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62557559) is N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is XZEWRXRKHKUQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-12(2,3)6-7-13-8-9-14(4)10-11-15-5/h13H,6-11H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62557559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).