N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2 — CID 60657470

IUPACN-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cccc(CNCCN(C)C)c1C
InChIInChI=1S/C13H22N2/c1-11-6-5-7-13(12(11)2)10-14-8-9-15(3)4/h5-7,14H,8-10H2,1-4H3
InChIKeySCPICJRSQBJYNX-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.95
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 60657470) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID60657470
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cccc(CNCCN(C)C)c1C
InChIInChI=1S/C13H22N2/c1-11-6-5-7-13(12(11)2)10-14-8-9-15(3)4/h5-7,14H,8-10H2,1-4H3
InChIKeySCPICJRSQBJYNX-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 60657470) is N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is Cc1cccc(CNCCN(C)C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SCPICJRSQBJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-6-5-7-13(12(11)2)10-14-8-9-15(3)4/h5-7,14H,8-10H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 60657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).