N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine

C9H14N2O — CID 79101038

IUPACN-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine
SMILESCC1(CNn2cccc2)COC1
InChIInChI=1S/C9H14N2O/c1-9(7-12-8-9)6-10-11-4-2-3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyGVARWVLAMJUXMC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.07
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine

N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine (PubChem CID 79101038) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine
PubChem CID79101038
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine
SMILESCC1(CNn2cccc2)COC1
InChIInChI=1S/C9H14N2O/c1-9(7-12-8-9)6-10-11-4-2-3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyGVARWVLAMJUXMC-UHFFFAOYSA-N
XLogP1.07
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine (CID 79101038) is N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine is CC1(CNn2cccc2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine?
The InChIKey is GVARWVLAMJUXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(7-12-8-9)6-10-11-4-2-3-5-11/h2-5,10H,6-8H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine?
N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine has a molecular weight of 166.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79101038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).