N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine

C13H22N2 — CID 54809643

IUPACN'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1c(C)cccc1C
InChIInChI=1S/C13H22N2/c1-4-8-14-9-10-15-13-11(2)6-5-7-12(13)3/h5-7,14-15H,4,8-10H2,1-3H3
InChIKeyLMTSDVBHRMAVTL-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds6

About N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine

N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine (PubChem CID 54809643) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
PubChem CID54809643
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1c(C)cccc1C
InChIInChI=1S/C13H22N2/c1-4-8-14-9-10-15-13-11(2)6-5-7-12(13)3/h5-7,14-15H,4,8-10H2,1-3H3
InChIKeyLMTSDVBHRMAVTL-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine (CID 54809643) is N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine is CCCNCCNc1c(C)cccc1C.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is LMTSDVBHRMAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-14-9-10-15-13-11(2)6-5-7-12(13)3/h5-7,14-15H,4,8-10H2,1-3H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine?
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 54809643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).