2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol

C20H30N2O — CID 122649223

IUPAC2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(NCCO)CC1
InChIInChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17?,18?,19-,20+/m0/s1
InChIKeyRATYCEWVKCGROT-WITAWTMASA-N
MW314.47 g/mol
LogP2.96
Rot. Bonds7

About 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol

2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol (PubChem CID 122649223) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
PubChem CID122649223
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(NCCO)CC1
InChIInChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17?,18?,19-,20+/m0/s1
InChIKeyRATYCEWVKCGROT-WITAWTMASA-N
XLogP2.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol (CID 122649223) is 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(NCCO)CC1.
What is the InChIKey of 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol?
The InChIKey is RATYCEWVKCGROT-WITAWTMASA-N. The full InChI is InChI=1S/C20H30N2O/c1-15(13-16-5-3-2-4-6-16)19-14-20(19)22-18-9-7-17(8-10-18)21-11-12-23/h2-6,13,17-23H,7-12,14H2,1H3/b15-13+/t17?,18?,19-,20+/m0/s1.
What are the key properties of 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol?
2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol has a molecular weight of 314.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol is sourced from PubChem (CID 122649223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).