N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

C13H20N2O — CID 66401412

IUPACN-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(CC2CCCO2)c1
InChIInChI=1S/C13H20N2O/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1,3,7,11,13-14H,2,4-6,8-10H2
InChIKeyVJXPQSFWEYRVOK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66401412) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66401412
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(CC2CCCO2)c1
InChIInChI=1S/C13H20N2O/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1,3,7,11,13-14H,2,4-6,8-10H2
InChIKeyVJXPQSFWEYRVOK-UHFFFAOYSA-N
XLogP1.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (CID 66401412) is N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)n(CC2CCCO2)c1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is VJXPQSFWEYRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1,3,7,11,13-14H,2,4-6,8-10H2.
What are the key properties of N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66401412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).