N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine

C24H36N2 — CID 91719494

IUPACN,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
SMILESCCN(CCCCCCN(CC)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C24H36N2/c1-5-25(23-15-11-13-21(3)19-23)17-9-7-8-10-18-26(6-2)24-16-12-14-22(4)20-24/h11-16,19-20H,5-10,17-18H2,1-4H3
InChIKeyCRFTWHBMGJTJHX-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.22
Rot. Bonds11

About N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine

N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine (PubChem CID 91719494) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
PubChem CID91719494
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC NameN,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
SMILESCCN(CCCCCCN(CC)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C24H36N2/c1-5-25(23-15-11-13-21(3)19-23)17-9-7-8-10-18-26(6-2)24-16-12-14-22(4)20-24/h11-16,19-20H,5-10,17-18H2,1-4H3
InChIKeyCRFTWHBMGJTJHX-UHFFFAOYSA-N
XLogP6.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N-dibutyl-3-methylaniline
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ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
CID 138691667
CID 138691667
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine (CID 91719494) is N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine is CCN(CCCCCCN(CC)c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine?
The InChIKey is CRFTWHBMGJTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-5-25(23-15-11-13-21(3)19-23)17-9-7-8-10-18-26(6-2)24-16-12-14-22(4)20-24/h11-16,19-20H,5-10,17-18H2,1-4H3.
What are the key properties of N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine?
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine has a molecular weight of 352.57 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine is sourced from PubChem (CID 91719494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).