N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C12H16N4O — CID 66403363

IUPACN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1nonc1Cn1cccc1CNC1CC1
InChIInChI=1S/C12H16N4O/c1-9-12(15-17-14-9)8-16-6-2-3-11(16)7-13-10-4-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyDCYMDGHMHRPNKG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.48
Rot. Bonds5

About N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66403363) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66403363
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1nonc1Cn1cccc1CNC1CC1
InChIInChI=1S/C12H16N4O/c1-9-12(15-17-14-9)8-16-6-2-3-11(16)7-13-10-4-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyDCYMDGHMHRPNKG-UHFFFAOYSA-N
XLogP1.48
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403372
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403179
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 103173679
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 810153
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66403363) is N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Cc1nonc1Cn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is DCYMDGHMHRPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-12(15-17-14-9)8-16-6-2-3-11(16)7-13-10-4-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3.
What are the key properties of N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 232.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66403363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).