1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine

C21H30N2 — CID 20512413

IUPAC1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C)c(NCC(C)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H30N2/c1-13-8-15(3)20(16(4)9-13)22-12-19(7)23-21-17(5)10-14(2)11-18(21)6/h8-11,19,22-23H,12H2,1-7H3
InChIKeyZCGAIFXUKWTBNU-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.45
Rot. Bonds5

About 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine

1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine (PubChem CID 20512413) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine
PubChem CID20512413
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C)c(NCC(C)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H30N2/c1-13-8-15(3)20(16(4)9-13)22-12-19(7)23-21-17(5)10-14(2)11-18(21)6/h8-11,19,22-23H,12H2,1-7H3
InChIKeyZCGAIFXUKWTBNU-UHFFFAOYSA-N
XLogP5.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
3-(2,4,6-trimethylanilino)butanethioamide
CID 82083745
1-(2,4,6-trimethylanilino)ethanol
CID 160916728
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
N-ethyl-2,4,6-trimethylaniline;trichlorocobalt
CID 175492327
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940757
N-(dicyclopropylmethyl)-2,4,6-trimethylaniline
CID 54861632

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine (CID 20512413) is 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine is Cc1cc(C)c(NCC(C)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine?
The InChIKey is ZCGAIFXUKWTBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-13-8-15(3)20(16(4)9-13)22-12-19(7)23-21-17(5)10-14(2)11-18(21)6/h8-11,19,22-23H,12H2,1-7H3.
What are the key properties of 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine?
1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 20512413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).