2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine

C13H30N2O — CID 114856169

IUPAC2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(CCCOC)NC
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)13(3,4)12(14-5)10-9-11-16-6/h12,14H,7-11H2,1-6H3
InChIKeyZADUILOJVSHIRI-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine

2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine (PubChem CID 114856169) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
PubChem CID114856169
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(CCCOC)NC
InChIInChI=1S/C13H30N2O/c1-7-15(8-2)13(3,4)12(14-5)10-9-11-16-6/h12,14H,7-11H2,1-6H3
InChIKeyZADUILOJVSHIRI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129
6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
CID 103181088
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
CID 79055909
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
CID 114530408
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
CID 114228834
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
CID 114856424

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine (CID 114856169) is 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine is CCN(CC)C(C)(C)C(CCCOC)NC.
What is the InChIKey of 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine?
The InChIKey is ZADUILOJVSHIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-15(8-2)13(3,4)12(14-5)10-9-11-16-6/h12,14H,7-11H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine?
2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine is sourced from PubChem (CID 114856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).