N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C13H22N2 — CID 742614

IUPACN,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-12-6-5-7-13(10-12)11-15(4)9-8-14(2)3/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBQUFQFKLEMACDG-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.99
Rot. Bonds5

About N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 742614) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID742614
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-12-6-5-7-13(10-12)11-15(4)9-8-14(2)3/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBQUFQFKLEMACDG-UHFFFAOYSA-N
XLogP1.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 742614) is N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)CCN(C)C)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is BQUFQFKLEMACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12-6-5-7-13(10-12)11-15(4)9-8-14(2)3/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 742614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).