1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide

C15H25N3O — CID 106390951

IUPAC1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCCn2cccc2)CCCCCC1
InChIInChI=1S/C15H25N3O/c16-13-15(7-3-1-2-4-8-15)14(19)17-9-12-18-10-5-6-11-18/h5-6,10-11H,1-4,7-9,12-13,16H2,(H,17,19)
InChIKeyILLAKZPYZAQJBC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds5

About 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide (PubChem CID 106390951) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
PubChem CID106390951
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NCCn2cccc2)CCCCCC1
InChIInChI=1S/C15H25N3O/c16-13-15(7-3-1-2-4-8-15)14(19)17-9-12-18-10-5-6-11-18/h5-6,10-11H,1-4,7-9,12-13,16H2,(H,17,19)
InChIKeyILLAKZPYZAQJBC-UHFFFAOYSA-N
XLogP1.90
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide (CID 106390951) is 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide is NCC1(C(=O)NCCn2cccc2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
The InChIKey is ILLAKZPYZAQJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-13-15(7-3-1-2-4-8-15)14(19)17-9-12-18-10-5-6-11-18/h5-6,10-11H,1-4,7-9,12-13,16H2,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 106390951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).