N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

C13H23ClN2O — CID 119432515

IUPACN-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1C2C3CCC(C3)C12.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-5-2-6-15-13(16)12-10-8-3-4-9(7-8)11(10)12;/h8-12,14H,2-7H2,1H3,(H,15,16);1H
InChIKeyYVROSCUNVKCFPN-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.43
Rot. Bonds5

About N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (PubChem CID 119432515) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
PubChem CID119432515
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1C2C3CCC(C3)C12.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-5-2-6-15-13(16)12-10-8-3-4-9(7-8)11(10)12;/h8-12,14H,2-7H2,1H3,(H,15,16);1H
InChIKeyYVROSCUNVKCFPN-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.43
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 N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (CID 119432515) is N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is CNCCCNC(=O)C1C2C3CCC(C3)C12.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The InChIKey is YVROSCUNVKCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-14-5-2-6-15-13(16)12-10-8-3-4-9(7-8)11(10)12;/h8-12,14H,2-7H2,1H3,(H,15,16);1H.
What are the key properties of N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119432515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).