N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine

C10H16N2O — CID 82836284

IUPACN-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine
SMILESCC1CCC(CNn2cccc2)O1
InChIInChI=1S/C10H16N2O/c1-9-4-5-10(13-9)8-11-12-6-2-3-7-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyIGIBLHNEJBLVFM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.60
Rot. Bonds3

About N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine

N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine (PubChem CID 82836284) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine
PubChem CID82836284
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine
SMILESCC1CCC(CNn2cccc2)O1
InChIInChI=1S/C10H16N2O/c1-9-4-5-10(13-9)8-11-12-6-2-3-7-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyIGIBLHNEJBLVFM-UHFFFAOYSA-N
XLogP1.60
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine (CID 82836284) is N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine is CC1CCC(CNn2cccc2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine?
The InChIKey is IGIBLHNEJBLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-4-5-10(13-9)8-11-12-6-2-3-7-12/h2-3,6-7,9-11H,4-5,8H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine?
N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 82836284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).