(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol

C21H27NO2 — CID 10663839

IUPAC(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
SMILESCC(C)(C)N[C@H]1CC(c2ccccc2)(c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C21H27NO2/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19,22-24H,14H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeyRWPMUIJFRKMCAN-IPMKNSEASA-N
MW325.45 g/mol
LogP2.85
Rot. Bonds3

About (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol

(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol (PubChem CID 10663839) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
PubChem CID10663839
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
SMILESCC(C)(C)N[C@H]1CC(c2ccccc2)(c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C21H27NO2/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19,22-24H,14H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeyRWPMUIJFRKMCAN-IPMKNSEASA-N
XLogP2.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
CID 67744270
N-tert-butyl-3,3-diphenylcyclobutan-1-amine;methanesulfonic acid
CID 15295732
cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
CID 102179465
(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
CID 135015191
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
N-tert-butyl-4,4-diphenylcyclohexan-1-amine;methanesulfonic acid
CID 15295731
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine
CID 10591883
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-tert-butyl-4,4-diphenylcyclohex-2-en-1-amine;methanesulfonic acid
CID 15295736
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol (CID 10663839) is (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol is CC(C)(C)N[C@H]1CC(c2ccccc2)(c2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol?
The InChIKey is RWPMUIJFRKMCAN-IPMKNSEASA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19,22-24H,14H2,1-3H3/t17-,18+,19+/m0/s1.
What are the key properties of (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol?
(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol has a molecular weight of 325.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol is sourced from PubChem (CID 10663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).