2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine

C14H24N2O — CID 130979555

IUPAC2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCOCCN(Cc1ccccc1)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-14(2,12-15)16(9-10-17-3)11-13-7-5-4-6-8-13/h4-8H,9-12,15H2,1-3H3
InChIKeyNNFKLVBTQVLPKY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds7

About 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine

2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine (PubChem CID 130979555) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
PubChem CID130979555
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCOCCN(Cc1ccccc1)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-14(2,12-15)16(9-10-17-3)11-13-7-5-4-6-8-13/h4-8H,9-12,15H2,1-3H3
InChIKeyNNFKLVBTQVLPKY-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine (CID 130979555) is 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine is COCCN(Cc1ccccc1)C(C)(C)CN.
What is the InChIKey of 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The InChIKey is NNFKLVBTQVLPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,12-15)16(9-10-17-3)11-13-7-5-4-6-8-13/h4-8H,9-12,15H2,1-3H3.
What are the key properties of 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine?
2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 130979555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).