N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine

C15H26N2 — CID 61308741

IUPACN'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)CC(N)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-13(4)17(6-2)11-15(16)14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,16H2,1-4H3
InChIKeyAZWGFYIYBMCXPT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.12
Rot. Bonds6

About N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine

N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61308741) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61308741
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)CC(N)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-13(4)17(6-2)11-15(16)14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,16H2,1-4H3
InChIKeyAZWGFYIYBMCXPT-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
1-(3-methylphenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55002353
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
2-N-[2-amino-2-(3-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188425
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
3-[[2-amino-1-(3-methylphenyl)propyl]-ethylamino]-2-methylpropanenitrile
CID 55020222
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 61308741) is N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine is CCC(C)N(CC)CC(N)c1cccc(C)c1.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is AZWGFYIYBMCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(4)17(6-2)11-15(16)14-9-7-8-12(3)10-14/h7-10,13,15H,5-6,11,16H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61308741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).