1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine

C13H30N2O2 — CID 62567966

IUPAC1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(C)C(C)COC
InChIInChI=1S/C13H30N2O2/c1-6-17-9-7-8-14-10-12(2)15(4)13(3)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyBRXXOOMLRIGRTR-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.36
Rot. Bonds11

About 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine

1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 62567966) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID62567966
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(C)C(C)COC
InChIInChI=1S/C13H30N2O2/c1-6-17-9-7-8-14-10-12(2)15(4)13(3)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyBRXXOOMLRIGRTR-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 62567824
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568076
2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
CID 102997787
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine (CID 62567966) is 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine is CCOCCCNCC(C)N(C)C(C)COC.
What is the InChIKey of 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is BRXXOOMLRIGRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-6-17-9-7-8-14-10-12(2)15(4)13(3)11-16-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine?
1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62567966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).