N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine

C19H29NO2 — CID 2199602

IUPACN-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
SMILESC=CCc1ccc(OCCCCNC2CCCC2)c(OC)c1
InChIInChI=1S/C19H29NO2/c1-3-8-16-11-12-18(19(15-16)21-2)22-14-7-6-13-20-17-9-4-5-10-17/h3,11-12,15,17,20H,1,4-10,13-14H2,2H3
InChIKeyGLBJPQGUOHOYDP-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.11
Rot. Bonds10

About N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine

N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine (PubChem CID 2199602) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
PubChem CID2199602
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
SMILESC=CCc1ccc(OCCCCNC2CCCC2)c(OC)c1
InChIInChI=1S/C19H29NO2/c1-3-8-16-11-12-18(19(15-16)21-2)22-14-7-6-13-20-17-9-4-5-10-17/h3,11-12,15,17,20H,1,4-10,13-14H2,2H3
InChIKeyGLBJPQGUOHOYDP-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
(3R,5R)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-3,5-dimethylpiperidine
CID 7413062

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine (CID 2199602) is N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine is C=CCc1ccc(OCCCCNC2CCCC2)c(OC)c1.
What is the InChIKey of N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine?
The InChIKey is GLBJPQGUOHOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-8-16-11-12-18(19(15-16)21-2)22-14-7-6-13-20-17-9-4-5-10-17/h3,11-12,15,17,20H,1,4-10,13-14H2,2H3.
What are the key properties of N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine?
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine has a molecular weight of 303.45 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine is sourced from PubChem (CID 2199602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).