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

C13H27NO2 — CID 62266538

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)14(8-5-9-15)10-13(11-16)6-3-4-7-13/h12,15-16H,3-11H2,1-2H3
InChIKeyCPSRMWFWCIQHRC-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.63
Rot. Bonds7

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

3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62266538) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
PubChem CID62266538
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)14(8-5-9-15)10-13(11-16)6-3-4-7-13/h12,15-16H,3-11H2,1-2H3
InChIKeyCPSRMWFWCIQHRC-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol (CID 62266538) is 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CC1(CO)CCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is CPSRMWFWCIQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)14(8-5-9-15)10-13(11-16)6-3-4-7-13/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol?
3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62266538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).