(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol

C17H31NO2 — CID 71693835

IUPAC(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCC2CCCC2)[C@@H](C2CCCCC2)C[C@H]1O
InChIInChI=1S/C17H31NO2/c19-15-10-14(13-8-2-1-3-9-13)16(17(15)20)18-11-12-6-4-5-7-12/h12-20H,1-11H2/t14-,15-,16-,17-/m1/s1
InChIKeyVDPPYPQWYRAEJD-QBPKDAKJSA-N
MW281.44 g/mol
LogP2.46
Rot. Bonds4

About (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol

(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol (PubChem CID 71693835) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
PubChem CID71693835
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCC2CCCC2)[C@@H](C2CCCCC2)C[C@H]1O
InChIInChI=1S/C17H31NO2/c19-15-10-14(13-8-2-1-3-9-13)16(17(15)20)18-11-12-6-4-5-7-12/h12-20H,1-11H2/t14-,15-,16-,17-/m1/s1
InChIKeyVDPPYPQWYRAEJD-QBPKDAKJSA-N
XLogP2.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.46
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)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol (CID 71693835) is (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol is O[C@H]1[C@H](NCC2CCCC2)[C@@H](C2CCCCC2)C[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol?
The InChIKey is VDPPYPQWYRAEJD-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H31NO2/c19-15-10-14(13-8-2-1-3-9-13)16(17(15)20)18-11-12-6-4-5-7-12/h12-20H,1-11H2/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol has a molecular weight of 281.44 g/mol, XLogP of 2.46, 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)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 71693835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).