N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide

C14H26N2O — CID 59205248

IUPACN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-10(2)14(17)16-7-3-6-15-13-9-11-4-5-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyNVEMZMXUABVEAG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds6

About N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide

N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide (PubChem CID 59205248) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide
PubChem CID59205248
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-10(2)14(17)16-7-3-6-15-13-9-11-4-5-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyNVEMZMXUABVEAG-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
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-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide (CID 59205248) is N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide is CC(C)C(=O)NCCCNC1CC2CCC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide?
The InChIKey is NVEMZMXUABVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)14(17)16-7-3-6-15-13-9-11-4-5-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide?
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide has a molecular weight of 238.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 59205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).