N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine

C9H20N2O — CID 115449017

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CN)CCC1
InChIInChI=1S/C9H20N2O/c1-12-6-5-11-8-9(7-10)3-2-4-9/h11H,2-8,10H2,1H3
InChIKeyZMXAFUSKCVUHSC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 115449017) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
PubChem CID115449017
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CN)CCC1
InChIInChI=1S/C9H20N2O/c1-12-6-5-11-8-9(7-10)3-2-4-9/h11H,2-8,10H2,1H3
InChIKeyZMXAFUSKCVUHSC-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
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-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine (CID 115449017) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is ZMXAFUSKCVUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-6-5-11-8-9(7-10)3-2-4-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).