N'-benzyl-N'-methylpropane-1,3-diamine

C11H18N2 — CID 4962836

IUPACN'-benzyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3
InChIKeyLZQYISZOMMPPIP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.47
Rot. Bonds5

About N'-benzyl-N'-methylpropane-1,3-diamine

N'-benzyl-N'-methylpropane-1,3-diamine (PubChem CID 4962836) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-benzyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methylpropane-1,3-diamine
PubChem CID4962836
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-benzyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3
InChIKeyLZQYISZOMMPPIP-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methylpropane-1,3-diamine (CID 4962836) is N'-benzyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methylpropane-1,3-diamine is CN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methylpropane-1,3-diamine?
The InChIKey is LZQYISZOMMPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3.
What are the key properties of N'-benzyl-N'-methylpropane-1,3-diamine?
N'-benzyl-N'-methylpropane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 4962836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).