1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

C16H28N2 — CID 43570965

IUPAC1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(C)C(CC)CC)cc1
InChIInChI=1S/C16H28N2/c1-5-13-8-10-14(11-9-13)16(17)12-18(4)15(6-2)7-3/h8-11,15-16H,5-7,12,17H2,1-4H3
InChIKeyGSMKAFSGIOTGGP-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 43570965) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
PubChem CID43570965
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(C)C(CC)CC)cc1
InChIInChI=1S/C16H28N2/c1-5-13-8-10-14(11-9-13)16(17)12-18(4)15(6-2)7-3/h8-11,15-16H,5-7,12,17H2,1-4H3
InChIKeyGSMKAFSGIOTGGP-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
CID 62265577
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (CID 43570965) is 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is CCc1ccc(C(N)CN(C)C(CC)CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is GSMKAFSGIOTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13-8-10-14(11-9-13)16(17)12-18(4)15(6-2)7-3/h8-11,15-16H,5-7,12,17H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 43570965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).