1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol

C13H27NO2 — CID 103158287

IUPAC1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
SMILESCC(C)OCCNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)16-8-7-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3
InChIKeyGSJIPBPKXBPYBY-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds8

About 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol

1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol (PubChem CID 103158287) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
PubChem CID103158287
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
SMILESCC(C)OCCNCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)16-8-7-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3
InChIKeyGSJIPBPKXBPYBY-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
1-cyclopentyl-3-[4-[methyl(propan-2-yl)amino]butylamino]propan-2-ol
CID 103157622
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol (CID 103158287) is 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol is CC(C)OCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The InChIKey is GSJIPBPKXBPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)16-8-7-14-10-13(15)9-12-5-3-4-6-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol?
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol is sourced from PubChem (CID 103158287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).