2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine

C10H24N2O2 — CID 66269179

IUPAC2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine
SMILESCCN(CC)C(CN)CC(OC)OC
InChIInChI=1S/C10H24N2O2/c1-5-12(6-2)9(8-11)7-10(13-3)14-4/h9-10H,5-8,11H2,1-4H3
InChIKeyRPIOIUYFXHQJRL-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.66
Rot. Bonds8

About 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine

2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine (PubChem CID 66269179) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine
PubChem CID66269179
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine
SMILESCCN(CC)C(CN)CC(OC)OC
InChIInChI=1S/C10H24N2O2/c1-5-12(6-2)9(8-11)7-10(13-3)14-4/h9-10H,5-8,11H2,1-4H3
InChIKeyRPIOIUYFXHQJRL-UHFFFAOYSA-N
XLogP0.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
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,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine (CID 66269179) is 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine is CCN(CC)C(CN)CC(OC)OC.
What is the InChIKey of 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine?
The InChIKey is RPIOIUYFXHQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-5-12(6-2)9(8-11)7-10(13-3)14-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine?
2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4,4-dimethoxybutane-1,2-diamine is sourced from PubChem (CID 66269179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).