2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine

C12H24N2O2 — CID 102656880

IUPAC2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCCOC1(C)CNC1
InChIInChI=1S/C12H24N2O2/c1-12(8-13-9-12)16-7-6-14-10-4-3-5-11(10)15-2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVOBRAWPGDJNUGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.52
Rot. Bonds6

About 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine

2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine (PubChem CID 102656880) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine
PubChem CID102656880
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCCOC1(C)CNC1
InChIInChI=1S/C12H24N2O2/c1-12(8-13-9-12)16-7-6-14-10-4-3-5-11(10)15-2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVOBRAWPGDJNUGX-UHFFFAOYSA-N
XLogP0.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.52
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

N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
CID 102656780
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine
CID 79270926
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclobutanamine
CID 102657060
N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
CID 62088427
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
CID 81094779
N'-(2-methoxycyclopentyl)-2-methylbutane-1,4-diamine
CID 81080842
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
CID 43770852
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine (CID 102656880) is 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine is COC1CCCC1NCCOC1(C)CNC1.
What is the InChIKey of 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine?
The InChIKey is VOBRAWPGDJNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(8-13-9-12)16-7-6-14-10-4-3-5-11(10)15-2/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine?
2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine is sourced from PubChem (CID 102656880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).