N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine

C8H13N3 — CID 83872527

IUPACN-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine
SMILESCNCC1CCc2[nH]cnc21
InChIInChI=1S/C8H13N3/c1-9-4-6-2-3-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyPGSUOWINMHWENV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.66
Rot. Bonds2

About N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine

N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine (PubChem CID 83872527) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine
PubChem CID83872527
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine
SMILESCNCC1CCc2[nH]cnc21
InChIInChI=1S/C8H13N3/c1-9-4-6-2-3-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyPGSUOWINMHWENV-UHFFFAOYSA-N
XLogP0.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine (CID 83872527) is N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine is CNCC1CCc2[nH]cnc21.
What is the InChIKey of N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine?
The InChIKey is PGSUOWINMHWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-9-4-6-2-3-7-8(6)11-5-10-7/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine?
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl)methanamine is sourced from PubChem (CID 83872527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).