[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine

C17H27N — CID 65403094

IUPAC[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1cc(C)c(CC2(CN)CCC(C)C2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-5-6-17(9-12,11-18)10-16-14(3)7-13(2)8-15(16)4/h7-8,12H,5-6,9-11,18H2,1-4H3
InChIKeyWSJHSWCXJGWTKT-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.92
Rot. Bonds3

About [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine

[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine (PubChem CID 65403094) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
PubChem CID65403094
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1cc(C)c(CC2(CN)CCC(C)C2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-5-6-17(9-12,11-18)10-16-14(3)7-13(2)8-15(16)4/h7-8,12H,5-6,9-11,18H2,1-4H3
InChIKeyWSJHSWCXJGWTKT-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydroabietylamine
CID 62034
(1-Phenylcyclopentyl)methanamine
CID 205131
2,5-Dimethylbenzeneethanamine
CID 211415
Abieta-8,11,13-trien-18-amine
CID 106831
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 118215
5-Adpi
CID 192600
2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642
2-(4-Tert-butylphenyl)ethan-1-amine
CID 2735689
((1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
CID 15632212
2,5-Dimethylamphetamine
CID 115412
[3-(3,4-Dimethylphenyl)-1-adamantyl]methylamine
CID 2828186
3-(2,4-Dimethylphenyl)propan-1-amine
CID 4962541

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine (CID 65403094) is [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine is Cc1cc(C)c(CC2(CN)CCC(C)C2)c(C)c1.
What is the InChIKey of [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine?
The InChIKey is WSJHSWCXJGWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-6-17(9-12,11-18)10-16-14(3)7-13(2)8-15(16)4/h7-8,12H,5-6,9-11,18H2,1-4H3.
What are the key properties of [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine?
[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 65403094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).