N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine

C12H20N2 — CID 3021697

IUPACN',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1NCCCN(C)C
InChIInChI=1S/C12H20N2/c1-11-7-4-5-8-12(11)13-9-6-10-14(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyZOGWRTUVHRNZEG-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.36
Rot. Bonds5

About N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine

N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine (PubChem CID 3021697) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
PubChem CID3021697
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1NCCCN(C)C
InChIInChI=1S/C12H20N2/c1-11-7-4-5-8-12(11)13-9-6-10-14(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyZOGWRTUVHRNZEG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[2-(2-methylanilino)ethyl]propane-1,3-diamine
CID 102997809
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CID 18005925
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
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N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
CID 86225752
N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114238373
N-[(E)-hex-4-enyl]-2-methylaniline
CID 70268185
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
N'-hydroxy-4-(2-methylanilino)butanimidamide
CID 77025856
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylaniline
CID 3063866
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
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8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one
CID 122180537

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine (CID 3021697) is N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ZOGWRTUVHRNZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-7-4-5-8-12(11)13-9-6-10-14(2)3/h4-5,7-8,13H,6,9-10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.36, 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-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 3021697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).