N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

C18H29N — CID 81017122

IUPACN-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CC2CCC2CNC(C)C)c(C)c1
InChIInChI=1S/C18H29N/c1-12(2)19-11-17-7-6-16(17)10-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3
InChIKeyRKWBMUHTSVDDGF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.18
Rot. Bonds5

About N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 81017122) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID81017122
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CC2CCC2CNC(C)C)c(C)c1
InChIInChI=1S/C18H29N/c1-12(2)19-11-17-7-6-16(17)10-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3
InChIKeyRKWBMUHTSVDDGF-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 81017122) is N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is Cc1cc(C)c(CC2CCC2CNC(C)C)c(C)c1.
What is the InChIKey of N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is RKWBMUHTSVDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)19-11-17-7-6-16(17)10-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).