1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine

C12H28N2O — CID 62558324

IUPAC1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(4)14(5)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyNBBQXWXELFTZSD-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine

1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 62558324) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID62558324
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(4)14(5)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyNBBQXWXELFTZSD-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
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 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine (CID 62558324) is 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine is CCOCCCNCC(C)N(C)C(C)C.
What is the InChIKey of 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is NBBQXWXELFTZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(4)14(5)11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine?
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62558324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).