2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

C9H22N2O2 — CID 66180219

IUPAC2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCNC(C)(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-5-11-9(2,7-10)6-8(12-3)13-4/h8,11H,5-7,10H2,1-4H3
InChIKeyKDBNDIOMKVXONQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.32
Rot. Bonds7

About 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine

2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (PubChem CID 66180219) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
PubChem CID66180219
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCNC(C)(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-5-11-9(2,7-10)6-8(12-3)13-4/h8,11H,5-7,10H2,1-4H3
InChIKeyKDBNDIOMKVXONQ-UHFFFAOYSA-N
XLogP0.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine (CID 66180219) is 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is CCNC(C)(CN)CC(OC)OC.
What is the InChIKey of 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The InChIKey is KDBNDIOMKVXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-5-11-9(2,7-10)6-8(12-3)13-4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66180219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).