1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol

C12H25NO3 — CID 103179093

IUPAC1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESCOCCCOCCNCC1(O)CCCC1
InChIInChI=1S/C12H25NO3/c1-15-8-4-9-16-10-7-13-11-12(14)5-2-3-6-12/h13-14H,2-11H2,1H3
InChIKeyKLIWDVYWLOEVPQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds9

About 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103179093) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103179093
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESCOCCCOCCNCC1(O)CCCC1
InChIInChI=1S/C12H25NO3/c1-15-8-4-9-16-10-7-13-11-12(14)5-2-3-6-12/h13-14H,2-11H2,1H3
InChIKeyKLIWDVYWLOEVPQ-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
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-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65109102
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65111635
1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65805407
1-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 105910750
1-({[(3R,4S)-4-fluorooxolan-3-yl]amino}methyl)cyclopentan-1-ol
CID 168021393
N-[(1-methoxycyclopentyl)methyl]ethanamine
CID 62106219
[(1-Ethoxycyclopentyl)methyl](methyl)amine
CID 62108348
1-[(Ethylamino)methyl]cyclopentan-1-ol
CID 62772349
1-[(Propylamino)methyl]cyclopentan-1-ol
CID 62772359
1-{[(2-Methylpropyl)amino]methyl}cyclopentan-1-ol
CID 62773361
(3S)-2-(butoxymethyl)-3-methylpyrrolidin-3-ol
CID 89211959
4-Methyl-1-(methylamino)-4-(3-methylbutoxy)hexan-2-ol
CID 89742042

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol (CID 103179093) is 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol is COCCCOCCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is KLIWDVYWLOEVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-15-8-4-9-16-10-7-13-11-12(14)5-2-3-6-12/h13-14H,2-11H2,1H3.
What are the key properties of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103179093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).