1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol

C14H27NO2 — CID 106360589

IUPAC1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
SMILESOCC1CCCC1NCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c16-10-12-6-3-7-14(12)15-9-13(17)8-11-4-1-2-5-11/h11-17H,1-10H2
InChIKeySXGQUEDHDAJXNR-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.68
Rot. Bonds6

About 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol

1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol (PubChem CID 106360589) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
PubChem CID106360589
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
SMILESOCC1CCCC1NCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c16-10-12-6-3-7-14(12)15-9-13(17)8-11-4-1-2-5-11/h11-17H,1-10H2
InChIKeySXGQUEDHDAJXNR-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 106362427
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327
1-cyclopentyl-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
CID 103580894
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
CID 106360707
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol (CID 106360589) is 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol is OCC1CCCC1NCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol?
The InChIKey is SXGQUEDHDAJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c16-10-12-6-3-7-14(12)15-9-13(17)8-11-4-1-2-5-11/h11-17H,1-10H2.
What are the key properties of 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol?
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol is sourced from PubChem (CID 106360589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).