(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol

C18H27NO2 — CID 71693811

IUPAC(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2ccccc2)[C@@H](C2CCCCC2)C[C@H]1O
InChIInChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2/t15-,16-,17-,18-/m1/s1
InChIKeySMFVVONIUYQRTI-BRSBDYLESA-N
MW289.42 g/mol
LogP2.47
Rot. Bonds4

About (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol

(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol (PubChem CID 71693811) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
PubChem CID71693811
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2ccccc2)[C@@H](C2CCCCC2)C[C@H]1O
InChIInChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2/t15-,16-,17-,18-/m1/s1
InChIKeySMFVVONIUYQRTI-BRSBDYLESA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol (CID 71693811) is (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol is O[C@H]1[C@H](NCc2ccccc2)[C@@H](C2CCCCC2)C[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The InChIKey is SMFVVONIUYQRTI-BRSBDYLESA-N. The full InChI is InChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2/t15-,16-,17-,18-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol has a molecular weight of 289.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol is sourced from PubChem (CID 71693811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).