N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine

C18H27NO2 — CID 20833717

IUPACN-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
SMILESC/C=C\c1ccc(OCCCNC2CCCC2)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-6-12-19-16-8-4-5-9-16/h3,7,10-11,14,16,19H,4-6,8-9,12-13H2,1-2H3/b7-3-
InChIKeyQUHMQOAHHLRDNE-CLTKARDFSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds8

About N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine

N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine (PubChem CID 20833717) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
PubChem CID20833717
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
SMILESC/C=C\c1ccc(OCCCNC2CCCC2)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-6-12-19-16-8-4-5-9-16/h3,7,10-11,14,16,19H,4-6,8-9,12-13H2,1-2H3/b7-3-
InChIKeyQUHMQOAHHLRDNE-CLTKARDFSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine?
The IUPAC name of N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine (CID 20833717) is N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine.
What is the SMILES notation for N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine?
The canonical SMILES for N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine is C/C=C\c1ccc(OCCCNC2CCCC2)c(OC)c1.
What is the InChIKey of N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine?
The InChIKey is QUHMQOAHHLRDNE-CLTKARDFSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-7-15-10-11-17(18(14-15)20-2)21-13-6-12-19-16-8-4-5-9-16/h3,7,10-11,14,16,19H,4-6,8-9,12-13H2,1-2H3/b7-3-.
What are the key properties of N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine?
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine has a molecular weight of 289.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine is sourced from PubChem (CID 20833717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).