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

C15H29NO2 — CID 71693837

IUPAC(1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyKJEINXZKTOZHTB-KBUPBQIOSA-N
MW255.40 g/mol
LogP1.92
Rot. Bonds4

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

(1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol (PubChem CID 71693837) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol
PubChem CID71693837
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyKJEINXZKTOZHTB-KBUPBQIOSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
CID 71693835
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
CID 78150855
4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol
CID 78150880
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419
2,5-dimethyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 130735335
(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 98536249

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol (CID 71693837) is (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol is CC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1.
What is the InChIKey of (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The InChIKey is KJEINXZKTOZHTB-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-cyclohexyl-3-(2-methylpropylamino)cyclopentane-1,2-diol has a molecular weight of 255.40 g/mol, XLogP of 1.92, 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-(2-methylpropylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 71693837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).