N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine

C18H31N — CID 82920734

IUPACN,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-15(7-2)13-18(19-8-3)17-11-9-16(10-12-17)14(4)5/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyKPONXZDVGSCFGG-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds8

About N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine

N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine (PubChem CID 82920734) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
PubChem CID82920734
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-15(7-2)13-18(19-8-3)17-11-9-16(10-12-17)14(4)5/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyKPONXZDVGSCFGG-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63474567

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine (CID 82920734) is N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine is CCNC(CC(CC)CC)c1ccc(C(C)C)cc1.
What is the InChIKey of N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine?
The InChIKey is KPONXZDVGSCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-15(7-2)13-18(19-8-3)17-11-9-16(10-12-17)14(4)5/h9-12,14-15,18-19H,6-8,13H2,1-5H3.
What are the key properties of N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine?
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine is sourced from PubChem (CID 82920734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).