N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine

C9H19N3O — CID 83013900

IUPACN-[1-(aminomethyl)cyclobutyl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCC1
InChIInChI=1S/C9H19N3O/c10-8-9(2-1-3-9)11-12-4-6-13-7-5-12/h11H,1-8,10H2
InChIKeyPYBDQSHQDTULAI-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.30
Rot. Bonds3

About N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine

N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine (PubChem CID 83013900) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]morpholin-4-amine
PubChem CID83013900
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[1-(aminomethyl)cyclobutyl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCC1
InChIInChI=1S/C9H19N3O/c10-8-9(2-1-3-9)11-12-4-6-13-7-5-12/h11H,1-8,10H2
InChIKeyPYBDQSHQDTULAI-UHFFFAOYSA-N
XLogP-0.30
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine (CID 83013900) is N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine is NCC1(NN2CCOCC2)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine?
The InChIKey is PYBDQSHQDTULAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-8-9(2-1-3-9)11-12-4-6-13-7-5-12/h11H,1-8,10H2.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine?
N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine has a molecular weight of 185.27 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]morpholin-4-amine is sourced from PubChem (CID 83013900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).