N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine

C12H28N2O — CID 103285767

IUPACN',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
SMILESCCCC(C)COCCNCCN(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-12(2)11-15-10-8-13-7-9-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyVYYJERNOBPAYSL-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds10

About N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine (PubChem CID 103285767) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
PubChem CID103285767
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
SMILESCCCC(C)COCCNCCN(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-12(2)11-15-10-8-13-7-9-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyVYYJERNOBPAYSL-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine
CID 103285771
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 103490717
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62266935
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
2-(2-methylpentoxy)ethanamine
CID 62343431
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine (CID 103285767) is N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine is CCCC(C)COCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine?
The InChIKey is VYYJERNOBPAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-12(2)11-15-10-8-13-7-9-14(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103285767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).