3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine

C7H16N2 — CID 168891555

IUPAC3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
SMILESCNC1CC(C)(CN)C1
InChIInChI=1S/C7H16N2/c1-7(5-8)3-6(4-7)9-2/h6,9H,3-5,8H2,1-2H3
InChIKeyGGUDISQQAXKHIN-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.33
Rot. Bonds2

About 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine

3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine (PubChem CID 168891555) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
PubChem CID168891555
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
SMILESCNC1CC(C)(CN)C1
InChIInChI=1S/C7H16N2/c1-7(5-8)3-6(4-7)9-2/h6,9H,3-5,8H2,1-2H3
InChIKeyGGUDISQQAXKHIN-UHFFFAOYSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine (CID 168891555) is 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine is CNC1CC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine?
The InChIKey is GGUDISQQAXKHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(5-8)3-6(4-7)9-2/h6,9H,3-5,8H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine?
3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 168891555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).