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

C24H37N3 — CID 66808796

IUPACN'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(C(N)CNCC(N)c2c(C)cccc2C)c(CC)c1
InChIInChI=1S/C24H37N3/c1-6-18-12-19(7-2)24(20(8-3)13-18)22(26)15-27-14-21(25)23-16(4)10-9-11-17(23)5/h9-13,21-22,27H,6-8,14-15,25-26H2,1-5H3
InChIKeyLKBJWENGBJRXFZ-UHFFFAOYSA-N
MW367.58 g/mol
LogP4.28
Rot. Bonds9

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

N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 66808796) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID66808796
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC NameN'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(C(N)CNCC(N)c2c(C)cccc2C)c(CC)c1
InChIInChI=1S/C24H37N3/c1-6-18-12-19(7-2)24(20(8-3)13-18)22(26)15-27-14-21(25)23-16(4)10-9-11-17(23)5/h9-13,21-22,27H,6-8,14-15,25-26H2,1-5H3
InChIKeyLKBJWENGBJRXFZ-UHFFFAOYSA-N
XLogP4.28
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine (CID 66808796) is N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine is CCc1cc(CC)c(C(N)CNCC(N)c2c(C)cccc2C)c(CC)c1.
What is the InChIKey of N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is LKBJWENGBJRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-6-18-12-19(7-2)24(20(8-3)13-18)22(26)15-27-14-21(25)23-16(4)10-9-11-17(23)5/h9-13,21-22,27H,6-8,14-15,25-26H2,1-5H3.
What are the key properties of N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
N'-[2-amino-2-(2,4,6-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 367.58 g/mol, XLogP of 4.28, 9 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-triethylphenyl)ethyl]-1-(2,6-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66808796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).