2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine

C20H35N — CID 105050261

IUPAC2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cccc(CCC)c1
InChIInChI=1S/C20H35N/c1-5-9-13-18(8-4)20(21-15-7-3)19-14-10-12-17(16-19)11-6-2/h10,12,14,16,18,20-21H,5-9,11,13,15H2,1-4H3
InChIKeyJDCQYOGTWAIRNX-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.90
Rot. Bonds11

About 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine

2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine (PubChem CID 105050261) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
PubChem CID105050261
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cccc(CCC)c1
InChIInChI=1S/C20H35N/c1-5-9-13-18(8-4)20(21-15-7-3)19-14-10-12-17(16-19)11-6-2/h10,12,14,16,18,20-21H,5-9,11,13,15H2,1-4H3
InChIKeyJDCQYOGTWAIRNX-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 115850316
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine (CID 105050261) is 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine is CCCCC(CC)C(NCCC)c1cccc(CCC)c1.
What is the InChIKey of 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine?
The InChIKey is JDCQYOGTWAIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-9-13-18(8-4)20(21-15-7-3)19-14-10-12-17(16-19)11-6-2/h10,12,14,16,18,20-21H,5-9,11,13,15H2,1-4H3.
What are the key properties of 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine?
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine is sourced from PubChem (CID 105050261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).