2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine

C13H30N2O — CID 63951842

IUPAC2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)CCCOC
InChIInChI=1S/C13H30N2O/c1-5-7-9-13(6-2,12-14)15(3)10-8-11-16-4/h5-12,14H2,1-4H3
InChIKeyGZOHWXKTAHBNRL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds10

About 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine

2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine (PubChem CID 63951842) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
PubChem CID63951842
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)CCCOC
InChIInChI=1S/C13H30N2O/c1-5-7-9-13(6-2,12-14)15(3)10-8-11-16-4/h5-12,14H2,1-4H3
InChIKeyGZOHWXKTAHBNRL-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine (CID 63951842) is 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine is CCCCC(CC)(CN)N(C)CCCOC.
What is the InChIKey of 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine?
The InChIKey is GZOHWXKTAHBNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-7-9-13(6-2,12-14)15(3)10-8-11-16-4/h5-12,14H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine?
2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine is sourced from PubChem (CID 63951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).