N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine

C12H28N2O2 — CID 61418402

IUPACN',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCOCCN(CCCNC(C)C)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(2)13-6-5-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3
InChIKeyCSYBFIHXBFQYCT-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.97
Rot. Bonds11

About N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine

N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 61418402) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID61418402
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCOCCN(CCCNC(C)C)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(2)13-6-5-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3
InChIKeyCSYBFIHXBFQYCT-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine (CID 61418402) is N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine is COCCN(CCCNC(C)C)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is CSYBFIHXBFQYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2)13-6-5-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine?
N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 61418402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).