4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride

C14H27ClN2O — CID 120558701

IUPAC4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)C1CC2CCC1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-9(15)3-6-14(17)16-10(2)13-8-11-4-5-12(13)7-11;/h9-13H,3-8,15H2,1-2H3,(H,16,17);1H
InChIKeyOODCHIWRQZGQFA-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride

4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride (PubChem CID 120558701) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
PubChem CID120558701
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)C1CC2CCC1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-9(15)3-6-14(17)16-10(2)13-8-11-4-5-12(13)7-11;/h9-13H,3-8,15H2,1-2H3,(H,16,17);1H
InChIKeyOODCHIWRQZGQFA-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
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-[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
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-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide
CID 60841318
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
sodium 6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-oxohexanoate
CID 154802194
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride (CID 120558701) is 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(C)C1CC2CCC1C2.Cl.
What is the InChIKey of 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride?
The InChIKey is OODCHIWRQZGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-9(15)3-6-14(17)16-10(2)13-8-11-4-5-12(13)7-11;/h9-13H,3-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride?
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).