N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

C20H33N — CID 63503195

IUPACN-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C20H33N/c1-5-12-21-20(18-10-8-6-7-9-11-18)19-16(3)13-15(2)14-17(19)4/h13-14,18,20-21H,5-12H2,1-4H3
InChIKeyFRJQYPBFNUTCCY-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.62
Rot. Bonds5

About N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 63503195) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID63503195
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C20H33N/c1-5-12-21-20(18-10-8-6-7-9-11-18)19-16(3)13-15(2)14-17(19)4/h13-14,18,20-21H,5-12H2,1-4H3
InChIKeyFRJQYPBFNUTCCY-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-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-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 63503195) is N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1c(C)cc(C)cc1C)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is FRJQYPBFNUTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-12-21-20(18-10-8-6-7-9-11-18)19-16(3)13-15(2)14-17(19)4/h13-14,18,20-21H,5-12H2,1-4H3.
What are the key properties of N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63503195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).