N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine

C17H30N2 — CID 79481346

IUPACN'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCC(C)CN(CC)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-5-14(3)13-19(6-2)12-11-17(18)16-9-7-15(4)8-10-16/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyPVVFUDBNGBMWDL-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.75
Rot. Bonds8

About N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine

N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 79481346) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID79481346
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCC(C)CN(CC)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-5-14(3)13-19(6-2)12-11-17(18)16-9-7-15(4)8-10-16/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyPVVFUDBNGBMWDL-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 79477638
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine (CID 79481346) is N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine is CCC(C)CN(CC)CCC(N)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is PVVFUDBNGBMWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-14(3)13-19(6-2)12-11-17(18)16-9-7-15(4)8-10-16/h7-10,14,17H,5-6,11-13,18H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 79481346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).