1-(3,5-dimethylphenyl)-N-propyloctan-1-amine

C19H33N — CID 115796817

IUPAC1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)cc(C)c1
InChIInChI=1S/C19H33N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h13-15,19-20H,5-12H2,1-4H3
InChIKeyHICFWCZSFQAMJD-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.70
Rot. Bonds10

About 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine

1-(3,5-dimethylphenyl)-N-propyloctan-1-amine (PubChem CID 115796817) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
PubChem CID115796817
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)cc(C)c1
InChIInChI=1S/C19H33N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h13-15,19-20H,5-12H2,1-4H3
InChIKeyHICFWCZSFQAMJD-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.70
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-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
N-[1-(3,5-dimethylphenyl)-2-pentylsulfinylethyl]propan-1-amine
CID 107758918
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine (CID 115796817) is 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine?
The InChIKey is HICFWCZSFQAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h13-15,19-20H,5-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine?
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 115796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).