N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride

C14H31FN2O — CID 175966813

IUPACN-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
SMILESCCCCCCC(CC)(CC)C(=O)NCCN.F
InChIInChI=1S/C14H30N2O.FH/c1-4-7-8-9-10-14(5-2,6-3)13(17)16-12-11-15;/h4-12,15H2,1-3H3,(H,16,17);1H
InChIKeyMUNUJUYFIUECNW-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.99
Rot. Bonds10

About N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride

N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride (PubChem CID 175966813) has the molecular formula C14H31FN2O and a molecular weight of 262.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
PubChem CID175966813
Molecular FormulaC14H31FN2O
Molecular Weight262.41 g/mol
Exact Mass262.24
IUPAC NameN-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
SMILESCCCCCCC(CC)(CC)C(=O)NCCN.F
InChIInChI=1S/C14H30N2O.FH/c1-4-7-8-9-10-14(5-2,6-3)13(17)16-12-11-15;/h4-12,15H2,1-3H3,(H,16,17);1H
InChIKeyMUNUJUYFIUECNW-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.99
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

2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
2,2-diethyl-N-methylhexadecanamide
CID 158971138
1-(2-aminoethyl)-3-pentylurea
CID 87091814
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
2,2-diethylnonadecanoic acid
CID 139750929
2,2-diethyltridecanoic acid
CID 138578067
2-ethyl-2-pentylheptanamide
CID 87709137
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-(2-aminoethyl)nonanamide
CID 13028008
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-butyl-2-ethylnonanoic acid
CID 57042574
2-icosyl-2-pentyldocosanamide
CID 175538156

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride?
The IUPAC name of N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride (CID 175966813) is N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride.
What is the SMILES notation for N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride?
The canonical SMILES for N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride is CCCCCCC(CC)(CC)C(=O)NCCN.F.
What is the InChIKey of N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride?
The InChIKey is MUNUJUYFIUECNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.FH/c1-4-7-8-9-10-14(5-2,6-3)13(17)16-12-11-15;/h4-12,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride?
N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride has a molecular weight of 262.41 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride is sourced from PubChem (CID 175966813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).