1-(2,3,5,6-tetramethylphenyl)nonan-1-amine

C19H33N — CID 65448374

IUPAC1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H33N/c1-6-7-8-9-10-11-12-18(20)19-16(4)14(2)13-15(3)17(19)5/h13,18H,6-12,20H2,1-5H3
InChIKeyFSHVJKBIRBOJLF-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.67
Rot. Bonds8

About 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine

1-(2,3,5,6-tetramethylphenyl)nonan-1-amine (PubChem CID 65448374) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
PubChem CID65448374
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H33N/c1-6-7-8-9-10-11-12-18(20)19-16(4)14(2)13-15(3)17(19)5/h13,18H,6-12,20H2,1-5H3
InChIKeyFSHVJKBIRBOJLF-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.67
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-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
3-(1-chloroheptyl)-1,2,4,5-tetramethylbenzene
CID 114753498
1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
CID 114249229
1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
CID 174059306
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 116937694
2-(1-aminododecyl)-3,4-dimethylbenzenesulfonic acid
CID 139807845
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-amine
CID 115833229
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine (CID 65448374) is 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine is CCCCCCCCC(N)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine?
The InChIKey is FSHVJKBIRBOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-7-8-9-10-11-12-18(20)19-16(4)14(2)13-15(3)17(19)5/h13,18H,6-12,20H2,1-5H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine?
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)nonan-1-amine is sourced from PubChem (CID 65448374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).