N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

C19H31N — CID 65194218

IUPACN-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C19H31N/c1-15(2)20-14-19(11-6-12-19)13-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyGPXBOLZRSLFUSR-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.69
Rot. Bonds5

About N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65194218) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65194218
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C19H31N/c1-15(2)20-14-19(11-6-12-19)13-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyGPXBOLZRSLFUSR-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65194218) is N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(C(C)(C)C)cc2)CCC1.
What is the InChIKey of N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is GPXBOLZRSLFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)20-14-19(11-6-12-19)13-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3.
What are the key properties of N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).