N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride

C15H30ClN3O — CID 3025010

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride
SMILESCCN(CC)CCNCC(=O)NC1CC2CCC1C2.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-3-18(4-2)8-7-16-11-15(19)17-14-10-12-5-6-13(14)9-12;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyWTDJCMNKOCCWLK-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.64
Rot. Bonds8

About N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride

N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride (PubChem CID 3025010) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride
PubChem CID3025010
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride
SMILESCCN(CC)CCNCC(=O)NC1CC2CCC1C2.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-3-18(4-2)8-7-16-11-15(19)17-14-10-12-5-6-13(14)9-12;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyWTDJCMNKOCCWLK-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Bicyclo[2.2.1]hept-2-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 44327072
(2S,5R)-1-[2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile
CID 44411700
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
CID 73353481
Acetamide, 2-(diisopropylamino)-N-(2-norbornanyl)-, hydrochloride
CID 57292
Acetamide, 2-(dimethylamino)-N-(2-norbornanyl)-, hydrochloride, endo-
CID 57297
Acetamide, 2-(dipropylamino)-N-(2-norbornanyl)-, hydrochloride
CID 58580
Acetamide, 2-(ethylmethylamino)-N-(2-norbornanyl)-, hydrochloride
CID 58583
Acetamide, 2-(ethylpropylamino)-N-(2-norbornanyl)-, hydrochloride, endo-
CID 58585
Acetamide, N-(2-norbornanyl)-2-(propylamino)-, hydrochloride
CID 58597
Ammonium, diethylmethyl((2-norbornanylcarbamoyl)methyl)-, iodide, endo-
CID 59495
Acetamide, 2-(diethylamino)-N-methyl-N-(2-norbornanyl)-, hydrochloride
CID 3025030
Acetamide, 2-(diethylamino)-N-(1-norbornanyl)-, hydrochloride
CID 3025038

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride (CID 3025010) is N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride is CCN(CC)CCNCC(=O)NC1CC2CCC1C2.Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride?
The InChIKey is WTDJCMNKOCCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-3-18(4-2)8-7-16-11-15(19)17-14-10-12-5-6-13(14)9-12;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride?
N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[2-(diethylamino)ethylamino]acetamide;hydrochloride is sourced from PubChem (CID 3025010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).