N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine

C16H27N — CID 143844338

IUPACN-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)C(C)c1ccc(CC)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-13-17(4)14(3)16-11-9-15(6-2)10-12-16/h9-12,14H,5-8,13H2,1-4H3
InChIKeyUDHHPUGBDMXVBJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine

N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine (PubChem CID 143844338) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
PubChem CID143844338
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)C(C)c1ccc(CC)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-13-17(4)14(3)16-11-9-15(6-2)10-12-16/h9-12,14H,5-8,13H2,1-4H3
InChIKeyUDHHPUGBDMXVBJ-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine (CID 143844338) is N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine is CCCCCN(C)C(C)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine?
The InChIKey is UDHHPUGBDMXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-13-17(4)14(3)16-11-9-15(6-2)10-12-16/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine?
N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine is sourced from PubChem (CID 143844338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).