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

C21H30N2 — CID 57172568

IUPACN,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
SMILESCCN(CCCN(CC)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C21H30N2/c1-5-22(20-12-7-10-18(3)16-20)14-9-15-23(6-2)21-13-8-11-19(4)17-21/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3
InChIKeyHWTXHWAQUVZQED-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.05
Rot. Bonds8

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

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine (PubChem CID 57172568) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
PubChem CID57172568
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
SMILESCCN(CCCN(CC)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C21H30N2/c1-5-22(20-12-7-10-18(3)16-20)14-9-15-23(6-2)21-13-8-11-19(4)17-21/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3
InChIKeyHWTXHWAQUVZQED-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91719494
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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)propane-1,3-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine (CID 57172568) is N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine is CCN(CCCN(CC)c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine?
The InChIKey is HWTXHWAQUVZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-22(20-12-7-10-18(3)16-20)14-9-15-23(6-2)21-13-8-11-19(4)17-21/h7-8,10-13,16-17H,5-6,9,14-15H2,1-4H3.
What are the key properties of N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine?
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine has a molecular weight of 310.49 g/mol, XLogP of 5.05, 8 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)propane-1,3-diamine is sourced from PubChem (CID 57172568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).