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

C14H27ClN2O — CID 3025030

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)C1CC2CCC1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-14(17)15(3)13-9-11-6-7-12(13)8-11;/h11-13H,4-10H2,1-3H3;1H
InChIKeyKSIYKTDGUYJOET-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.40
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride (PubChem CID 3025030) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride
PubChem CID3025030
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)C1CC2CCC1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-14(17)15(3)13-9-11-6-7-12(13)8-11;/h11-13H,4-10H2,1-3H3;1H
InChIKeyKSIYKTDGUYJOET-UHFFFAOYSA-N
XLogP2.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride (CID 3025030) is N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride is CCN(CC)CC(=O)N(C)C1CC2CCC1C2.Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is KSIYKTDGUYJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-14(17)15(3)13-9-11-6-7-12(13)8-11;/h11-13H,4-10H2,1-3H3;1H.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride?
N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3025030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).