N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine

C15H34N2O2 — CID 82953791

IUPACN',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
SMILESCCOCCN(CCOCC)CC(CN)CC(C)C
InChIInChI=1S/C15H34N2O2/c1-5-18-9-7-17(8-10-19-6-2)13-15(12-16)11-14(3)4/h14-15H,5-13,16H2,1-4H3
InChIKeyXWEYPLBNOMAKJC-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.98
Rot. Bonds13

About N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine

N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine (PubChem CID 82953791) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
PubChem CID82953791
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC NameN',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
SMILESCCOCCN(CCOCC)CC(CN)CC(C)C
InChIInChI=1S/C15H34N2O2/c1-5-18-9-7-17(8-10-19-6-2)13-15(12-16)11-14(3)4/h14-15H,5-13,16H2,1-4H3
InChIKeyXWEYPLBNOMAKJC-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.98
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-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
CID 82959902
3-ethoxypropyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 122155440
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 82965564
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 79470505
N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366414
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
1-cyclobutyl-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965277
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-[2-(2-aminoethoxy)ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 79478302
2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
CID 176735461
1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81058894
1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
CID 82953278

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine (CID 82953791) is N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine is CCOCCN(CCOCC)CC(CN)CC(C)C.
What is the InChIKey of N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XWEYPLBNOMAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-18-9-7-17(8-10-19-6-2)13-15(12-16)11-14(3)4/h14-15H,5-13,16H2,1-4H3.
What are the key properties of N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine?
N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 1.98, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 82953791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).