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

C12H20N2 — CID 4041511

IUPACN',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyDOZIDNONBNTWCD-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.65
Rot. Bonds5

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

N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 4041511) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID4041511
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyDOZIDNONBNTWCD-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.65
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',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 4041511) is N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CNCCN(C)C)c1.
What is the InChIKey of N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is DOZIDNONBNTWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 4041511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).