[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol

C16H29NO3 — CID 79581921

IUPAC[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCOCC1CCCO1
InChIInChI=1S/C16H29NO3/c18-12-16(17-14-5-6-14)8-1-3-13(16)7-10-19-11-15-4-2-9-20-15/h13-15,17-18H,1-12H2
InChIKeyLOQAZCQXXHHBDN-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.86
Rot. Bonds8

About [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol

[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol (PubChem CID 79581921) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol
PubChem CID79581921
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCOCC1CCCO1
InChIInChI=1S/C16H29NO3/c18-12-16(17-14-5-6-14)8-1-3-13(16)7-10-19-11-15-4-2-9-20-15/h13-15,17-18H,1-12H2
InChIKeyLOQAZCQXXHHBDN-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581156
[1-(cyclopropylamino)-2-(2-morpholin-4-ylethyl)cyclopentyl]methanol
CID 79571575
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
[1-(methylamino)-2-(2-propoxyethyl)cyclopentyl]methanol
CID 79581094
1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572364
[1-(cyclopropylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentyl]methanol
CID 79571314
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
[1-(ethylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79566945
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine
CID 97219837
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol (CID 79581921) is [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol is OCC1(NC2CC2)CCCC1CCOCC1CCCO1.
What is the InChIKey of [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol?
The InChIKey is LOQAZCQXXHHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-12-16(17-14-5-6-14)8-1-3-13(16)7-10-19-11-15-4-2-9-20-15/h13-15,17-18H,1-12H2.
What are the key properties of [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol?
[1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol has a molecular weight of 283.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-2-[2-(oxolan-2-ylmethoxy)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).