N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine

C17H25NO2 — CID 119123293

IUPACN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine
SMILESC=CCc1cc(CNC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H25NO2/c1-4-7-14-10-13(11-16(19-2)17(14)20-3)12-18-15-8-5-6-9-15/h4,10-11,15,18H,1,5-9,12H2,2-3H3
InChIKeyASRAVRBBXZYPTA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds7

About N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine

N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine (PubChem CID 119123293) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine
PubChem CID119123293
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine
SMILESC=CCc1cc(CNC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H25NO2/c1-4-7-14-10-13(11-16(19-2)17(14)20-3)12-18-15-8-5-6-9-15/h4,10-11,15,18H,1,5-9,12H2,2-3H3
InChIKeyASRAVRBBXZYPTA-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]cyclohexanamine;hydrochloride
CID 17213329
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119311800
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
(2R,4aS,8aR)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 11945324
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine (CID 119123293) is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine is C=CCc1cc(CNC2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine?
The InChIKey is ASRAVRBBXZYPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-7-14-10-13(11-16(19-2)17(14)20-3)12-18-15-8-5-6-9-15/h4,10-11,15,18H,1,5-9,12H2,2-3H3.
What are the key properties of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine?
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine has a molecular weight of 275.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 119123293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).