(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol

C12H23NO2 — CID 97108283

IUPAC(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
SMILESCC1(C)CCC[C@@H]1NC[C@]1(O)CCOC1
InChIInChI=1S/C12H23NO2/c1-11(2)5-3-4-10(11)13-8-12(14)6-7-15-9-12/h10,13-14H,3-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyAHNGMAKFBVWKAH-CMPLNLGQSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds3

About (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol

(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol (PubChem CID 97108283) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
PubChem CID97108283
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
SMILESCC1(C)CCC[C@@H]1NC[C@]1(O)CCOC1
InChIInChI=1S/C12H23NO2/c1-11(2)5-3-4-10(11)13-8-12(14)6-7-15-9-12/h10,13-14H,3-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyAHNGMAKFBVWKAH-CMPLNLGQSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-Methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclopentyl]methanol
CID 132283043
6-[(Propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
CID 169259142
(6R)-6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
CID 169259518
4-(Cyclopentylmethylamino)oxolan-3-ol
CID 60900658
4-[(1-Methylcyclopentyl)amino]oxolan-3-ol
CID 61366539
4-[(2-Methylcyclopentyl)amino]oxolan-3-ol
CID 63278245
4-[(1-Methylcyclopentyl)methylamino]oxolan-3-ol
CID 63823124
4-(1-Cyclopentylethylamino)oxolan-3-ol
CID 64112071
3-[1-(Ethylamino)ethyl]oxolan-3-ol
CID 64125740
4-[(1-Hydroxycyclopentyl)methylamino]oxolan-3-ol
CID 65111234
3-[[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxolan-3-ol
CID 75516221
3-[(2,2-Dimethylcyclopentyl)amino]-2-methylpropane-1,2-diol
CID 79857214

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol?
The IUPAC name of (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol (CID 97108283) is (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol is CC1(C)CCC[C@@H]1NC[C@]1(O)CCOC1.
What is the InChIKey of (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol?
The InChIKey is AHNGMAKFBVWKAH-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)5-3-4-10(11)13-8-12(14)6-7-15-9-12/h10,13-14H,3-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol?
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 97108283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).