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

C29H47N3 — CID 18441227

IUPACN'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(NCCN(C)CCNc2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C29H47N3/c1-8-22-18-24(10-3)28(25(11-4)19-22)30-14-16-32(7)17-15-31-29-26(12-5)20-23(9-2)21-27(29)13-6/h18-21,30-31H,8-17H2,1-7H3
InChIKeyFHKBTNUXBNGUMN-UHFFFAOYSA-N
MW437.72 g/mol
LogP6.52
Rot. Bonds14

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

N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine (PubChem CID 18441227) has the molecular formula C29H47N3 and a molecular weight of 437.72 g/mol. Its IUPAC name is N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
PubChem CID18441227
Molecular FormulaC29H47N3
Molecular Weight437.72 g/mol
Exact Mass437.38
IUPAC NameN'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
SMILESCCc1cc(CC)c(NCCN(C)CCNc2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C29H47N3/c1-8-22-18-24(10-3)28(25(11-4)19-22)30-14-16-32(7)17-15-31-29-26(12-5)20-23(9-2)21-27(29)13-6/h18-21,30-31H,8-17H2,1-7H3
InChIKeyFHKBTNUXBNGUMN-UHFFFAOYSA-N
XLogP6.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.72
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
CID 18441635
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
[2,4,6-triethyl-N-[2-(2,4,6-triethylanilino)ethyl]anilino]phosphinothious acid
CID 171526591
N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441010
1,3-bis(2,4,6-triethylphenyl)thiourea
CID 156865136
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
2-chloro-4,6-diethyl-N-methylaniline
CID 21161258
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
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
3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
CID 156818276

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine (CID 18441227) is N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine is CCc1cc(CC)c(NCCN(C)CCNc2c(CC)cc(CC)cc2CC)c(CC)c1.
What is the InChIKey of N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
The InChIKey is FHKBTNUXBNGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3/c1-8-22-18-24(10-3)28(25(11-4)19-22)30-14-16-32(7)17-15-31-29-26(12-5)20-23(9-2)21-27(29)13-6/h18-21,30-31H,8-17H2,1-7H3.
What are the key properties of N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine?
N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine has a molecular weight of 437.72 g/mol, XLogP of 6.52, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 18441227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).