[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine

C19H27NO2 — CID 117485715

IUPAC[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C19H27NO2/c1-21-15-10-14(19(11-20)7-3-4-8-19)18(22-2)17-13-6-5-12(9-13)16(15)17/h10,12-13H,3-9,11,20H2,1-2H3
InChIKeyRKYIHWPLXJNFSF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.84
Rot. Bonds4

About [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine

[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine (PubChem CID 117485715) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
PubChem CID117485715
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)c2c1C1CCC2C1
InChIInChI=1S/C19H27NO2/c1-21-15-10-14(19(11-20)7-3-4-8-19)18(22-2)17-13-6-5-12(9-13)16(15)17/h10,12-13H,3-9,11,20H2,1-2H3
InChIKeyRKYIHWPLXJNFSF-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine (CID 117485715) is [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)c(OC)c2c1C1CCC2C1.
What is the InChIKey of [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine?
The InChIKey is RKYIHWPLXJNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-21-15-10-14(19(11-20)7-3-4-8-19)18(22-2)17-13-6-5-12(9-13)16(15)17/h10,12-13H,3-9,11,20H2,1-2H3.
What are the key properties of [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine?
[1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine has a molecular weight of 301.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)cyclopentyl]methanamine is sourced from PubChem (CID 117485715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).