N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine

C25H39N3 — CID 18441321

IUPACN'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
SMILESCc1cc(C)c(NCCCN(C)CCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H39N3/c1-18-14-20(3)24(21(4)15-18)26-10-8-12-28(7)13-9-11-27-25-22(5)16-19(2)17-23(25)6/h14-17,26-27H,8-13H2,1-7H3
InChIKeyXSKVBYAHIPNYRX-UHFFFAOYSA-N
MW381.61 g/mol
LogP5.77
Rot. Bonds10

About N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine

N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine (PubChem CID 18441321) has the molecular formula C25H39N3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
PubChem CID18441321
Molecular FormulaC25H39N3
Molecular Weight381.61 g/mol
Exact Mass381.31
IUPAC NameN'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
SMILESCc1cc(C)c(NCCCN(C)CCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H39N3/c1-18-14-20(3)24(21(4)15-18)26-10-8-12-28(7)13-9-11-27-25-22(5)16-19(2)17-23(25)6/h14-17,26-27H,8-13H2,1-7H3
InChIKeyXSKVBYAHIPNYRX-UHFFFAOYSA-N
XLogP5.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.61
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525062
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808
N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
CID 18441534
iron(2+);N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441123
copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441346
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine (CID 18441321) is N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine is Cc1cc(C)c(NCCCN(C)CCCNc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine?
The InChIKey is XSKVBYAHIPNYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3/c1-18-14-20(3)24(21(4)15-18)26-10-8-12-28(7)13-9-11-27-25-22(5)16-19(2)17-23(25)6/h14-17,26-27H,8-13H2,1-7H3.
What are the key properties of N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine?
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine has a molecular weight of 381.61 g/mol, XLogP of 5.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 18441321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).