1-(3,4-diethylphenyl)-N-methylnonan-1-amine

C20H35N — CID 115482264

IUPAC1-(3,4-diethylphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(CC)c(CC)c1
InChIInChI=1S/C20H35N/c1-5-8-9-10-11-12-13-20(21-4)19-15-14-17(6-2)18(7-3)16-19/h14-16,20-21H,5-13H2,1-4H3
InChIKeyFCLGUWBPLCQYNB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.82
Rot. Bonds11

About 1-(3,4-diethylphenyl)-N-methylnonan-1-amine

1-(3,4-diethylphenyl)-N-methylnonan-1-amine (PubChem CID 115482264) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N-methylnonan-1-amine
PubChem CID115482264
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(3,4-diethylphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(CC)c(CC)c1
InChIInChI=1S/C20H35N/c1-5-8-9-10-11-12-13-20(21-4)19-15-14-17(6-2)18(7-3)16-19/h14-16,20-21H,5-13H2,1-4H3
InChIKeyFCLGUWBPLCQYNB-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
CID 114752651
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3,4-diethylphenyl)hexan-1-amine
CID 113319060
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
4-(1-chlorohexyl)-1,2-diethylbenzene
CID 115482830
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N-methylnonan-1-amine?
The IUPAC name of 1-(3,4-diethylphenyl)-N-methylnonan-1-amine (CID 115482264) is 1-(3,4-diethylphenyl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1ccc(CC)c(CC)c1.
What is the InChIKey of 1-(3,4-diethylphenyl)-N-methylnonan-1-amine?
The InChIKey is FCLGUWBPLCQYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-8-9-10-11-12-13-20(21-4)19-15-14-17(6-2)18(7-3)16-19/h14-16,20-21H,5-13H2,1-4H3.
What are the key properties of 1-(3,4-diethylphenyl)-N-methylnonan-1-amine?
1-(3,4-diethylphenyl)-N-methylnonan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N-methylnonan-1-amine is sourced from PubChem (CID 115482264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).