1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide

C17H28N2O — CID 81487100

IUPAC1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CC2C2CCCC32)CCCC1
InChIInChI=1S/C17H28N2O/c18-10-17(6-1-2-7-17)16(20)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h11-15H,1-10,18H2,(H,19,20)
InChIKeyAXXCSRIIMKLELW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide (PubChem CID 81487100) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide
PubChem CID81487100
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CC2C2CCCC32)CCCC1
InChIInChI=1S/C17H28N2O/c18-10-17(6-1-2-7-17)16(20)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h11-15H,1-10,18H2,(H,19,20)
InChIKeyAXXCSRIIMKLELW-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide (CID 81487100) is 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide is NCC1(C(=O)NC2CC3CC2C2CCCC32)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide?
The InChIKey is AXXCSRIIMKLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c18-10-17(6-1-2-7-17)16(20)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h11-15H,1-10,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81487100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).