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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
CID 81017073
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027836
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 106681604
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 55085442
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
CID 63471293
N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 107417014
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706

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).