11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide

C17H30N2O — CID 71179623

IUPAC11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide
SMILESCCCCCNC(=O)C12CCCC3CC1CC(C2)C3N
InChIInChI=1S/C17H30N2O/c1-2-3-4-8-19-16(20)17-7-5-6-12-9-14(17)10-13(11-17)15(12)18/h12-15H,2-11,18H2,1H3,(H,19,20)
InChIKeyHUIALTGEDJGBCQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.84
Rot. Bonds5

About 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide

11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide (PubChem CID 71179623) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide.

Molecular Properties

Compound Name11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide
PubChem CID71179623
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide
SMILESCCCCCNC(=O)C12CCCC3CC1CC(C2)C3N
InChIInChI=1S/C17H30N2O/c1-2-3-4-8-19-16(20)17-7-5-6-12-9-14(17)10-13(11-17)15(12)18/h12-15H,2-11,18H2,1H3,(H,19,20)
InChIKeyHUIALTGEDJGBCQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide?
The IUPAC name of 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide (CID 71179623) is 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide.
What is the SMILES notation for 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide?
The canonical SMILES for 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide is CCCCCNC(=O)C12CCCC3CC1CC(C2)C3N.
What is the InChIKey of 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide?
The InChIKey is HUIALTGEDJGBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-8-19-16(20)17-7-5-6-12-9-14(17)10-13(11-17)15(12)18/h12-15H,2-11,18H2,1H3,(H,19,20).
What are the key properties of 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide?
11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-N-pentyltricyclo[5.3.1.03,9]undecane-3-carboxamide is sourced from PubChem (CID 71179623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).