N-[1-(4-methylphenyl)ethyl]nonan-1-amine

C18H31N — CID 63491901

IUPACN-[1-(4-methylphenyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCNC(C)c1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-4-5-6-7-8-9-10-15-19-17(3)18-13-11-16(2)12-14-18/h11-14,17,19H,4-10,15H2,1-3H3
InChIKeyUTQPVEUDBFPSKD-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.40
Rot. Bonds10

About N-[1-(4-methylphenyl)ethyl]nonan-1-amine

N-[1-(4-methylphenyl)ethyl]nonan-1-amine (PubChem CID 63491901) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]nonan-1-amine
PubChem CID63491901
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-(4-methylphenyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCNC(C)c1ccc(C)cc1
InChIInChI=1S/C18H31N/c1-4-5-6-7-8-9-10-15-19-17(3)18-13-11-16(2)12-14-18/h11-14,17,19H,4-10,15H2,1-3H3
InChIKeyUTQPVEUDBFPSKD-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.40
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-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
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-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]nonan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]nonan-1-amine (CID 63491901) is N-[1-(4-methylphenyl)ethyl]nonan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]nonan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]nonan-1-amine is CCCCCCCCCNC(C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]nonan-1-amine?
The InChIKey is UTQPVEUDBFPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-5-6-7-8-9-10-15-19-17(3)18-13-11-16(2)12-14-18/h11-14,17,19H,4-10,15H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]nonan-1-amine?
N-[1-(4-methylphenyl)ethyl]nonan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]nonan-1-amine is sourced from PubChem (CID 63491901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).