5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine

C16H27N — CID 115325063

IUPAC5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
SMILESCc1ccc(C(C)NCCCCC(C)C)cc1
InChIInChI=1S/C16H27N/c1-13(2)7-5-6-12-17-15(4)16-10-8-14(3)9-11-16/h8-11,13,15,17H,5-7,12H2,1-4H3
InChIKeyGFEBDLWEBQGXPG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.47
Rot. Bonds7

About 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine

5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine (PubChem CID 115325063) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
PubChem CID115325063
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
SMILESCc1ccc(C(C)NCCCCC(C)C)cc1
InChIInChI=1S/C16H27N/c1-13(2)7-5-6-12-17-15(4)16-10-8-14(3)9-11-16/h8-11,13,15,17H,5-7,12H2,1-4H3
InChIKeyGFEBDLWEBQGXPG-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.47
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

N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522
N-[(1R)-1-(4-methylphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103088204
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine (CID 115325063) is 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine is Cc1ccc(C(C)NCCCCC(C)C)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine?
The InChIKey is GFEBDLWEBQGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)7-5-6-12-17-15(4)16-10-8-14(3)9-11-16/h8-11,13,15,17H,5-7,12H2,1-4H3.
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine?
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 115325063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).