1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine

C15H21NO — CID 64573522

IUPAC1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
SMILESNC1(COC/C=C/c2ccccc2)CCCC1
InChIInChI=1S/C15H21NO/c16-15(10-4-5-11-15)13-17-12-6-9-14-7-2-1-3-8-14/h1-3,6-9H,4-5,10-13,16H2/b9-6+
InChIKeyFSOISDGWZODNJO-RMKNXTFCSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds5

About 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine

1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine (PubChem CID 64573522) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
PubChem CID64573522
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
SMILESNC1(COC/C=C/c2ccccc2)CCCC1
InChIInChI=1S/C15H21NO/c16-15(10-4-5-11-15)13-17-12-6-9-14-7-2-1-3-8-14/h1-3,6-9H,4-5,10-13,16H2/b9-6+
InChIKeyFSOISDGWZODNJO-RMKNXTFCSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(3-phenylprop-2-enoxymethyl)cycloheptane
CID 77052675
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane
CID 20736586
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene
CID 15686056
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine (CID 64573522) is 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine is NC1(COC/C=C/c2ccccc2)CCCC1.
What is the InChIKey of 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine?
The InChIKey is FSOISDGWZODNJO-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(10-4-5-11-15)13-17-12-6-9-14-7-2-1-3-8-14/h1-3,6-9H,4-5,10-13,16H2/b9-6+.
What are the key properties of 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine?
1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64573522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).