N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C22H33N3 — CID 66808820

IUPACN'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(N)CNCC(N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H33N3/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6/h7-10,19-20,25H,11-12,23-24H2,1-6H3
InChIKeyUDIWXBOYTRPXKX-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.83
Rot. Bonds6

About N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 66808820) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID66808820
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC NameN'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(N)CNCC(N)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H33N3/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6/h7-10,19-20,25H,11-12,23-24H2,1-6H3
InChIKeyUDIWXBOYTRPXKX-UHFFFAOYSA-N
XLogP3.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
CID 66808819
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 66808796
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
N'-[2-amino-2-[4-methyl-2,6-di(propan-2-yl)phenyl]ethyl]-1-[4-methyl-2,6-di(propan-2-yl)phenyl]propane-1,3-diamine
CID 66808787
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 66808820) is N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C(N)CNCC(N)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is UDIWXBOYTRPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6/h7-10,19-20,25H,11-12,23-24H2,1-6H3.
What are the key properties of N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 339.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66808820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).