N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

C18H29N — CID 103168829

IUPACN-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H29N/c1-5-9-19-18(12-16-7-6-8-16)17-11-14(3)13(2)10-15(17)4/h10-11,16,18-19H,5-9,12H2,1-4H3
InChIKeyKXDKXKPELNMLTF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.84
Rot. Bonds6

About N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 103168829) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
PubChem CID103168829
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H29N/c1-5-9-19-18(12-16-7-6-8-16)17-11-14(3)13(2)10-15(17)4/h10-11,16,18-19H,5-9,12H2,1-4H3
InChIKeyKXDKXKPELNMLTF-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 81045921
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (CID 103168829) is N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is KXDKXKPELNMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-9-19-18(12-16-7-6-8-16)17-11-14(3)13(2)10-15(17)4/h10-11,16,18-19H,5-9,12H2,1-4H3.
What are the key properties of N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103168829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).