N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine

C19H31N — CID 43491289

IUPACN-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1C(C)C)C1CCC1
InChIInChI=1S/C19H31N/c1-6-20-19(15-8-7-9-15)17-11-10-16(13(2)3)12-18(17)14(4)5/h10-15,19-20H,6-9H2,1-5H3
InChIKeyLKMNCKCTMYZIEU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.38
Rot. Bonds6

About N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine

N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine (PubChem CID 43491289) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
PubChem CID43491289
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1C(C)C)C1CCC1
InChIInChI=1S/C19H31N/c1-6-20-19(15-8-7-9-15)17-11-10-16(13(2)3)12-18(17)14(4)5/h10-15,19-20H,6-9H2,1-5H3
InChIKeyLKMNCKCTMYZIEU-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
CID 43484503
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
CID 43491280
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine (CID 43491289) is N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1C(C)C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine?
The InChIKey is LKMNCKCTMYZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-20-19(15-8-7-9-15)17-11-10-16(13(2)3)12-18(17)14(4)5/h10-15,19-20H,6-9H2,1-5H3.
What are the key properties of N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine?
N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43491289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).