N'-(2,3-dimethylphenyl)pentane-1,5-diamine

C13H22N2 — CID 129283902

IUPACN'-(2,3-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(NCCCCCN)c1C
InChIInChI=1S/C13H22N2/c1-11-7-6-8-13(12(11)2)15-10-5-3-4-9-14/h6-8,15H,3-5,9-10,14H2,1-2H3
InChIKeyQGPIMNNNKPOJHG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.84
Rot. Bonds6

About N'-(2,3-dimethylphenyl)pentane-1,5-diamine

N'-(2,3-dimethylphenyl)pentane-1,5-diamine (PubChem CID 129283902) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)pentane-1,5-diamine
PubChem CID129283902
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-(2,3-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(NCCCCCN)c1C
InChIInChI=1S/C13H22N2/c1-11-7-6-8-13(12(11)2)15-10-5-3-4-9-14/h6-8,15H,3-5,9-10,14H2,1-2H3
InChIKeyQGPIMNNNKPOJHG-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 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 ≤ 52.84
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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Related Compounds

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N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
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2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
3-fluoro-2-methyl-N-octylaniline
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2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
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N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
CID 54797840
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130589219
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)pentane-1,5-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)pentane-1,5-diamine (CID 129283902) is N'-(2,3-dimethylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)pentane-1,5-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)pentane-1,5-diamine is Cc1cccc(NCCCCCN)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)pentane-1,5-diamine?
The InChIKey is QGPIMNNNKPOJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-7-6-8-13(12(11)2)15-10-5-3-4-9-14/h6-8,15H,3-5,9-10,14H2,1-2H3.
What are the key properties of N'-(2,3-dimethylphenyl)pentane-1,5-diamine?
N'-(2,3-dimethylphenyl)pentane-1,5-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 129283902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).