N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine

C13H30N2O — CID 62557181

IUPACN'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCNCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-11-7-8-14-9-10-15(5)12-13(2,3)4/h14H,6-12H2,1-5H3
InChIKeyUAMOCTAGPMMMDL-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine

N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 62557181) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID62557181
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCNCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-11-7-8-14-9-10-15(5)12-13(2,3)4/h14H,6-12H2,1-5H3
InChIKeyUAMOCTAGPMMMDL-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
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'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
N-(3-ethoxypropyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666209
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208969
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine (CID 62557181) is N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine is CCOCCCNCCN(C)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is UAMOCTAGPMMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-16-11-7-8-14-9-10-15(5)12-13(2,3)4/h14H,6-12H2,1-5H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine?
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62557181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).