N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine

C10H20N2O — CID 102656780

IUPACN-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
SMILESCC1(OCCNCC2CC2)CNC1
InChIInChI=1S/C10H20N2O/c1-10(7-12-8-10)13-5-4-11-6-9-2-3-9/h9,11-12H,2-8H2,1H3
InChIKeyQQKUGJALQKLPOR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.36
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine

N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine (PubChem CID 102656780) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
PubChem CID102656780
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
SMILESCC1(OCCNCC2CC2)CNC1
InChIInChI=1S/C10H20N2O/c1-10(7-12-8-10)13-5-4-11-6-9-2-3-9/h9,11-12H,2-8H2,1H3
InChIKeyQQKUGJALQKLPOR-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.36
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

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
CID 102656856
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184
2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopentan-1-amine
CID 102656880
N-cyclopropyl-3-(3-methylazetidin-3-yl)oxypropanamide
CID 83067445
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclobutanamine
CID 102657060
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237
3-ethoxy-3-methylazetidine
CID 83066072
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 102657001
3-methyl-3-octoxyazetidine
CID 83065433
2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 106203049
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine (CID 102656780) is N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine is CC1(OCCNCC2CC2)CNC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine?
The InChIKey is QQKUGJALQKLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(7-12-8-10)13-5-4-11-6-9-2-3-9/h9,11-12H,2-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine?
N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine is sourced from PubChem (CID 102656780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).