2-N-benzyl-3-methoxypropane-1,2-diamine

C11H18N2O — CID 73223715

IUPAC2-N-benzyl-3-methoxypropane-1,2-diamine
SMILESCOCC(CN)NCc1ccccc1
InChIInChI=1S/C11H18N2O/c1-14-9-11(7-12)13-8-10-5-3-2-4-6-10/h2-6,11,13H,7-9,12H2,1H3
InChIKeyUZMFBEOKQIOGGC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds6

About 2-N-benzyl-3-methoxypropane-1,2-diamine

2-N-benzyl-3-methoxypropane-1,2-diamine (PubChem CID 73223715) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-benzyl-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-methoxypropane-1,2-diamine
PubChem CID73223715
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-N-benzyl-3-methoxypropane-1,2-diamine
SMILESCOCC(CN)NCc1ccccc1
InChIInChI=1S/C11H18N2O/c1-14-9-11(7-12)13-8-10-5-3-2-4-6-10/h2-6,11,13H,7-9,12H2,1H3
InChIKeyUZMFBEOKQIOGGC-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-methoxypropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-methoxypropane-1,2-diamine (CID 73223715) is 2-N-benzyl-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-methoxypropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-methoxypropane-1,2-diamine is COCC(CN)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-3-methoxypropane-1,2-diamine?
The InChIKey is UZMFBEOKQIOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-9-11(7-12)13-8-10-5-3-2-4-6-10/h2-6,11,13H,7-9,12H2,1H3.
What are the key properties of 2-N-benzyl-3-methoxypropane-1,2-diamine?
2-N-benzyl-3-methoxypropane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 73223715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).