[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol

C14H29NO2 — CID 115359624

IUPAC[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(C)CCOCCNCC1(CO)CCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)5-9-17-10-8-15-11-14(12-16)6-3-4-7-14/h13,15-16H,3-12H2,1-2H3
InChIKeyYQJNDKGZSXYBGF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds9

About [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol

[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 115359624) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
PubChem CID115359624
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(C)CCOCCNCC1(CO)CCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)5-9-17-10-8-15-11-14(12-16)6-3-4-7-14/h13,15-16H,3-12H2,1-2H3
InChIKeyYQJNDKGZSXYBGF-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
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

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
CID 103033509
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol (CID 115359624) is [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol is CC(C)CCOCCNCC1(CO)CCCC1.
What is the InChIKey of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is YQJNDKGZSXYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)5-9-17-10-8-15-11-14(12-16)6-3-4-7-14/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol?
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115359624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).