1-(1-methoxycyclobutyl)-2-propoxyethanamine

C10H21NO2 — CID 116714130

IUPAC1-(1-methoxycyclobutyl)-2-propoxyethanamine
SMILESCCCOCC(N)C1(OC)CCC1
InChIInChI=1S/C10H21NO2/c1-3-7-13-8-9(11)10(12-2)5-4-6-10/h9H,3-8,11H2,1-2H3
InChIKeyGBWDYXHRCIPJEW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-2-propoxyethanamine

1-(1-methoxycyclobutyl)-2-propoxyethanamine (PubChem CID 116714130) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-propoxyethanamine
PubChem CID116714130
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(1-methoxycyclobutyl)-2-propoxyethanamine
SMILESCCCOCC(N)C1(OC)CCC1
InChIInChI=1S/C10H21NO2/c1-3-7-13-8-9(11)10(12-2)5-4-6-10/h9H,3-8,11H2,1-2H3
InChIKeyGBWDYXHRCIPJEW-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
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-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
CID 116765540
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
CID 116713868
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
2-ethoxy-1-(1-ethoxycyclohexyl)ethanamine
CID 116763540
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-methoxycyclobutyl)-3-methylbut-3-en-1-amine
CID 116713908
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
2-cyclobutyl-1-(1-methoxycyclohexyl)ethanamine
CID 116762657
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-propoxyethanamine?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-propoxyethanamine (CID 116714130) is 1-(1-methoxycyclobutyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-propoxyethanamine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-propoxyethanamine is CCCOCC(N)C1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-propoxyethanamine?
The InChIKey is GBWDYXHRCIPJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-7-13-8-9(11)10(12-2)5-4-6-10/h9H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-propoxyethanamine?
1-(1-methoxycyclobutyl)-2-propoxyethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-propoxyethanamine is sourced from PubChem (CID 116714130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).