1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine

C9H20N2O2 — CID 106822005

IUPAC1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine
SMILESCOCCNC1(CN)CC(OC)C1
InChIInChI=1S/C9H20N2O2/c1-12-4-3-11-9(7-10)5-8(6-9)13-2/h8,11H,3-7,10H2,1-2H3
InChIKeyIRMQZEVEEHDUSN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.27
Rot. Bonds6

About 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine

1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine (PubChem CID 106822005) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine
PubChem CID106822005
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine
SMILESCOCCNC1(CN)CC(OC)C1
InChIInChI=1S/C9H20N2O2/c1-12-4-3-11-9(7-10)5-8(6-9)13-2/h8,11H,3-7,10H2,1-2H3
InChIKeyIRMQZEVEEHDUSN-UHFFFAOYSA-N
XLogP-0.27
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.27
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

[3-Ethoxy-1-(morpholin-4-yl)cyclobutyl]methanamine
CID 86775697
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
CID 106822245
3-Butoxy-1-(methylaminomethyl)cyclobutan-1-amine
CID 90323044
1-(aminomethyl)-3-butoxy-N-ethylcyclobutan-1-amine
CID 90327518
3-Butoxy-1-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 90327586
N'-[(2S,4R)-2-(aminomethyl)-4-(2-methylpropoxy)cyclobutyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 155228412
(3R,5S)-N-tert-butyl-5-methoxypiperidin-3-amine
CID 165388179
(3R,5R)-N-tert-butyl-5-methoxypiperidin-3-amine
CID 165388203
ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine
CID 177172991
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 61214530
N-[(4-methoxypyrrolidin-2-yl)methyl]cyclobutanamine
CID 62415980
4-methoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62541493

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine (CID 106822005) is 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine is COCCNC1(CN)CC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
The InChIKey is IRMQZEVEEHDUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-4-3-11-9(7-10)5-8(6-9)13-2/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine has a molecular weight of 188.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 106822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).