[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol

C17H25NO — CID 115328362

IUPAC[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(CNCC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2
InChIKeyOESVKFPOEQJFQS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.09
Rot. Bonds6

About [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol

[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol (PubChem CID 115328362) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
PubChem CID115328362
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(CNCC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2
InChIKeyOESVKFPOEQJFQS-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol (CID 115328362) is [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol is C=C(CNCC1CCCCC1CO)c1ccccc1.
What is the InChIKey of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is OESVKFPOEQJFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2.
What are the key properties of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 115328362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).