[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine

C13H27NO2 — CID 103415092

IUPAC[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
SMILESCOCCOCCCC1(CN)CCC(C)C1
InChIInChI=1S/C13H27NO2/c1-12-4-6-13(10-12,11-14)5-3-7-16-9-8-15-2/h12H,3-11,14H2,1-2H3
InChIKeyWFJQGDPFXSLSOH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds8

About [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine

[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine (PubChem CID 103415092) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
PubChem CID103415092
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
SMILESCOCCOCCCC1(CN)CCC(C)C1
InChIInChI=1S/C13H27NO2/c1-12-4-6-13(10-12,11-14)5-3-7-16-9-8-15-2/h12H,3-11,14H2,1-2H3
InChIKeyWFJQGDPFXSLSOH-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055116
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 104566815
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
CID 103412747
[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
CID 65403298
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
CID 165442803

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine (CID 103415092) is [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine is COCCOCCCC1(CN)CCC(C)C1.
What is the InChIKey of [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine?
The InChIKey is WFJQGDPFXSLSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12-4-6-13(10-12,11-14)5-3-7-16-9-8-15-2/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine?
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 103415092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).