N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide

C13H24N2O — CID 103604103

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-9(14-5-6-15-10(2)16)13-8-11-3-4-12(13)7-11/h9,11-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUAEVMASPNAABDA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.54
Rot. Bonds5

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide (PubChem CID 103604103) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
PubChem CID103604103
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-9(14-5-6-15-10(2)16)13-8-11-3-4-12(13)7-11/h9,11-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUAEVMASPNAABDA-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.54
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

2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
CID 64583859
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641272
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
N-[2-(1-cyclobutylethylamino)ethyl]acetamide
CID 107530057
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide (CID 103604103) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide is CC(=O)NCCNC(C)C1CC2CCC1C2.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide?
The InChIKey is UAEVMASPNAABDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(14-5-6-15-10(2)16)13-8-11-3-4-12(13)7-11/h9,11-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 103604103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).