2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C17H26N4 — CID 83209495

IUPAC2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(Cc3nccn3C)cc21
InChIInChI=1S/C17H26N4/c1-3-8-18-16-7-5-4-6-14-11-21(12-15(14)16)13-17-19-9-10-20(17)2/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeyWTEPJPUNLVSQPP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.04
Rot. Bonds5

About 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83209495) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83209495
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(Cc3nccn3C)cc21
InChIInChI=1S/C17H26N4/c1-3-8-18-16-7-5-4-6-14-11-21(12-15(14)16)13-17-19-9-10-20(17)2/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeyWTEPJPUNLVSQPP-UHFFFAOYSA-N
XLogP3.04
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83209495) is 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCCNC1CCCCc2cn(Cc3nccn3C)cc21.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is WTEPJPUNLVSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-8-18-16-7-5-4-6-14-11-21(12-15(14)16)13-17-19-9-10-20(17)2/h9-12,16,18H,3-8,13H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83209495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).