[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine

C11H23N3 — CID 116943914

IUPAC[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(C(N)C2(CN)CCC2)C1
InChIInChI=1S/C11H23N3/c1-14-6-3-9(7-14)10(13)11(8-12)4-2-5-11/h9-10H,2-8,12-13H2,1H3
InChIKeyDSYAOVIJOHXFBT-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.39
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine

[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 116943914) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID116943914
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(C(N)C2(CN)CCC2)C1
InChIInChI=1S/C11H23N3/c1-14-6-3-9(7-14)10(13)11(8-12)4-2-5-11/h9-10H,2-8,12-13H2,1H3
InChIKeyDSYAOVIJOHXFBT-UHFFFAOYSA-N
XLogP0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine (CID 116943914) is [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(C(N)C2(CN)CCC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is DSYAOVIJOHXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-6-3-9(7-14)10(13)11(8-12)4-2-5-11/h9-10H,2-8,12-13H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine?
[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 116943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).