1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol

C16H23NO — CID 142884549

IUPAC1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(NC/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-16(18)11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-8,15,17-18H,9-13H2,1H3/b8-5+
InChIKeyALXPFOWRQALABG-VMPITWQZSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds4

About 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol

1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol (PubChem CID 142884549) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
PubChem CID142884549
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(NC/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-16(18)11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-8,15,17-18H,9-13H2,1H3/b8-5+
InChIKeyALXPFOWRQALABG-VMPITWQZSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol (CID 142884549) is 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol is CC1(O)CCC(NC/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol?
The InChIKey is ALXPFOWRQALABG-VMPITWQZSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(18)11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-8,15,17-18H,9-13H2,1H3/b8-5+.
What are the key properties of 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol?
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 142884549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).