N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine

C14H32N2O — CID 63009363

IUPACN,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCCOC
InChIInChI=1S/C14H32N2O/c1-6-14(7-2,12-15-8-3)13-16(4)10-9-11-17-5/h15H,6-13H2,1-5H3
InChIKeyQBWVSKKPMGBTRT-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine

N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine (PubChem CID 63009363) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
PubChem CID63009363
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCCOC
InChIInChI=1S/C14H32N2O/c1-6-14(7-2,12-15-8-3)13-16(4)10-9-11-17-5/h15H,6-13H2,1-5H3
InChIKeyQBWVSKKPMGBTRT-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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 N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine (CID 63009363) is N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine is CCNCC(CC)(CC)CN(C)CCCOC.
What is the InChIKey of N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine?
The InChIKey is QBWVSKKPMGBTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-14(7-2,12-15-8-3)13-16(4)10-9-11-17-5/h15H,6-13H2,1-5H3.
What are the key properties of N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine?
N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63009363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).