2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine

C10H22N2O — CID 80997660

IUPAC2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
SMILESCOCCCN(C)C1CCC1CN
InChIInChI=1S/C10H22N2O/c1-12(6-3-7-13-2)10-5-4-9(10)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyQTUNMNCHQYFQGF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds6

About 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine

2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine (PubChem CID 80997660) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
PubChem CID80997660
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
SMILESCOCCCN(C)C1CCC1CN
InChIInChI=1S/C10H22N2O/c1-12(6-3-7-13-2)10-5-4-9(10)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyQTUNMNCHQYFQGF-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine (CID 80997660) is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine is COCCCN(C)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
The InChIKey is QTUNMNCHQYFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(6-3-7-13-2)10-5-4-9(10)8-11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine?
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).