4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine

C15H21NO — CID 55114977

IUPAC4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
SMILESNC1CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,16H2/b7-4+
InChIKeyRXPWZRRWSQGCHU-QPJJXVBHSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds4

About 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine

4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine (PubChem CID 55114977) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
PubChem CID55114977
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine
SMILESNC1CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,16H2/b7-4+
InChIKeyRXPWZRRWSQGCHU-QPJJXVBHSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine (CID 55114977) is 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine is NC1CCC(OC/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
The InChIKey is RXPWZRRWSQGCHU-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H21NO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12,16H2/b7-4+.
What are the key properties of 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine?
4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enoxy]cyclohexan-1-amine is sourced from PubChem (CID 55114977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).