N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide

C14H26N2O — CID 60841318

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-10(16-14(17)4-3-7-15-2)13-9-11-5-6-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyOBEIHKFCRRSLJS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide (PubChem CID 60841318) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide
PubChem CID60841318
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-10(16-14(17)4-3-7-15-2)13-9-11-5-6-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyOBEIHKFCRRSLJS-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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Related Compounds

N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
sodium 6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-oxohexanoate
CID 154802194
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide (CID 60841318) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is OBEIHKFCRRSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(16-14(17)4-3-7-15-2)13-9-11-5-6-12(13)8-11/h10-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide 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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60841318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).