N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine

C30H46N2O6 — CID 68606690

IUPACN-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine
SMILESCNC1(c2cc(OC)c(OC)c(OC)c2)CCCC1.COc1cc(C2(CN)CCCC2)cc(OC)c1OC
InChIInChI=1S/2C15H23NO3/c1-16-15(7-5-6-8-15)11-9-12(17-2)14(19-4)13(10-11)18-3;1-17-12-8-11(9-13(18-2)14(12)19-3)15(10-16)6-4-5-7-15/h9-10,16H,5-8H2,1-4H3;8-9H,4-7,10,16H2,1-3H3
InChIKeyVMJQLIIZOBJHFG-UHFFFAOYSA-N
MW530.71 g/mol
LogP5.18
Rot. Bonds10

About N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine

N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 68606690) has the molecular formula C30H46N2O6 and a molecular weight of 530.71 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine
PubChem CID68606690
Molecular FormulaC30H46N2O6
Molecular Weight530.71 g/mol
Exact Mass530.34
IUPAC NameN-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine
SMILESCNC1(c2cc(OC)c(OC)c(OC)c2)CCCC1.COc1cc(C2(CN)CCCC2)cc(OC)c1OC
InChIInChI=1S/2C15H23NO3/c1-16-15(7-5-6-8-15)11-9-12(17-2)14(19-4)13(10-11)18-3;1-17-12-8-11(9-13(18-2)14(12)19-3)15(10-16)6-4-5-7-15/h9-10,16H,5-8H2,1-4H3;8-9H,4-7,10,16H2,1-3H3
InChIKeyVMJQLIIZOBJHFG-UHFFFAOYSA-N
XLogP5.18
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.71
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine (CID 68606690) is N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine is CNC1(c2cc(OC)c(OC)c(OC)c2)CCCC1.COc1cc(C2(CN)CCCC2)cc(OC)c1OC.
What is the InChIKey of N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is VMJQLIIZOBJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23NO3/c1-16-15(7-5-6-8-15)11-9-12(17-2)14(19-4)13(10-11)18-3;1-17-12-8-11(9-13(18-2)14(12)19-3)15(10-16)6-4-5-7-15/h9-10,16H,5-8H2,1-4H3;8-9H,4-7,10,16H2,1-3H3.
What are the key properties of N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine?
N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 530.71 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 68606690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).