N'-methyl-N'-phenylpropane-1,3-diamine

C10H16N2 — CID 577774

IUPACN'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCN)c1ccccc1
InChIInChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKeyWGHBKYWUOOANEX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.47
Rot. Bonds4

About N'-methyl-N'-phenylpropane-1,3-diamine

N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 577774) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID577774
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCN)c1ccccc1
InChIInChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKeyWGHBKYWUOOANEX-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
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'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenylpropane-1,3-diamine (CID 577774) is N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenylpropane-1,3-diamine is CN(CCCN)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is WGHBKYWUOOANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3.
What are the key properties of N'-methyl-N'-phenylpropane-1,3-diamine?
N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 577774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).