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

C18H25NO — CID 122649220

IUPAC4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1
InChIInChI=1S/C18H25NO/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15/h2-6,11,15-20H,7-10,12H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1
InChIKeyUSWQJAGASRULPG-DPFJXYGPSA-N
MW271.40 g/mol
LogP3.37
Rot. Bonds4

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

4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol (PubChem CID 122649220) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
PubChem CID122649220
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1
InChIInChI=1S/C18H25NO/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15/h2-6,11,15-20H,7-10,12H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1
InChIKeyUSWQJAGASRULPG-DPFJXYGPSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol (CID 122649220) is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1.
What is the InChIKey of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol?
The InChIKey is USWQJAGASRULPG-DPFJXYGPSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15/h2-6,11,15-20H,7-10,12H2,1H3/b13-11+/t15?,16?,17-,18+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol?
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 122649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).