[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine

C10H22N2O2 — CID 103184107

IUPAC[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
SMILESCOCCCOCCN1CC(CN)C1
InChIInChI=1S/C10H22N2O2/c1-13-4-2-5-14-6-3-12-8-10(7-11)9-12/h10H,2-9,11H2,1H3
InChIKeyGIWSZNQWJIJYQJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.07
Rot. Bonds8

About [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine

[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine (PubChem CID 103184107) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
PubChem CID103184107
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
SMILESCOCCCOCCN1CC(CN)C1
InChIInChI=1S/C10H22N2O2/c1-13-4-2-5-14-6-3-12-8-10(7-11)9-12/h10H,2-9,11H2,1H3
InChIKeyGIWSZNQWJIJYQJ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
CID 103184117
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine (CID 103184107) is [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine is COCCCOCCN1CC(CN)C1.
What is the InChIKey of [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine?
The InChIKey is GIWSZNQWJIJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-13-4-2-5-14-6-3-12-8-10(7-11)9-12/h10H,2-9,11H2,1H3.
What are the key properties of [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine?
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine is sourced from PubChem (CID 103184107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).