1-(2,5-diethylphenyl)decan-1-amine

C20H35N — CID 65448585

IUPAC1-(2,5-diethylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(CC)ccc1CC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16,20H,4-13,21H2,1-3H3
InChIKeyASBYOBPLEFPHQB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.95
Rot. Bonds11

About 1-(2,5-diethylphenyl)decan-1-amine

1-(2,5-diethylphenyl)decan-1-amine (PubChem CID 65448585) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)decan-1-amine
PubChem CID65448585
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(2,5-diethylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(CC)ccc1CC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16,20H,4-13,21H2,1-3H3
InChIKeyASBYOBPLEFPHQB-UHFFFAOYSA-N
XLogP5.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.95
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-(4-ethylphenyl)decan-1-amine
CID 63412475
1-(2,3-diethylphenyl)tetradecan-1-amine
CID 22761428
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
CID 173450788
1-(3,4-diethylphenyl)hexan-1-amine
CID 113319060
2-(1-aminobutyl)-4-ethylaniline
CID 83987997
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)decan-1-amine?
The IUPAC name of 1-(2,5-diethylphenyl)decan-1-amine (CID 65448585) is 1-(2,5-diethylphenyl)decan-1-amine.
What is the SMILES notation for 1-(2,5-diethylphenyl)decan-1-amine?
The canonical SMILES for 1-(2,5-diethylphenyl)decan-1-amine is CCCCCCCCCC(N)c1cc(CC)ccc1CC.
What is the InChIKey of 1-(2,5-diethylphenyl)decan-1-amine?
The InChIKey is ASBYOBPLEFPHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16,20H,4-13,21H2,1-3H3.
What are the key properties of 1-(2,5-diethylphenyl)decan-1-amine?
1-(2,5-diethylphenyl)decan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)decan-1-amine is sourced from PubChem (CID 65448585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).