1-(4-methylphenyl)decan-3-amine

C17H29N — CID 105125085

IUPAC1-(4-methylphenyl)decan-3-amine
SMILESCCCCCCCC(N)CCc1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-8-17(18)14-13-16-11-9-15(2)10-12-16/h9-12,17H,3-8,13-14,18H2,1-2H3
InChIKeyJHGYXSPUQQDCGX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.62
Rot. Bonds9

About 1-(4-methylphenyl)decan-3-amine

1-(4-methylphenyl)decan-3-amine (PubChem CID 105125085) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)decan-3-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)decan-3-amine
PubChem CID105125085
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(4-methylphenyl)decan-3-amine
SMILESCCCCCCCC(N)CCc1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-8-17(18)14-13-16-11-9-15(2)10-12-16/h9-12,17H,3-8,13-14,18H2,1-2H3
InChIKeyJHGYXSPUQQDCGX-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.62
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-methylphenyl)dodecan-3-ol
CID 105084894
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
1-thiophen-3-ylnonan-3-amine
CID 115857036
8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
CID 142803034
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
1-hexyl-4-methylbenzene;toluene
CID 173071388
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-(2-bromodecyl)-4-methylbenzene
CID 65427581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)decan-3-amine?
The IUPAC name of 1-(4-methylphenyl)decan-3-amine (CID 105125085) is 1-(4-methylphenyl)decan-3-amine.
What is the SMILES notation for 1-(4-methylphenyl)decan-3-amine?
The canonical SMILES for 1-(4-methylphenyl)decan-3-amine is CCCCCCCC(N)CCc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)decan-3-amine?
The InChIKey is JHGYXSPUQQDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-4-5-6-7-8-17(18)14-13-16-11-9-15(2)10-12-16/h9-12,17H,3-8,13-14,18H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)decan-3-amine?
1-(4-methylphenyl)decan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)decan-3-amine is sourced from PubChem (CID 105125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).