N-(2-aminoethyl)-N-butylheptanamide

C13H28N2O — CID 114754100

IUPACN-(2-aminoethyl)-N-butylheptanamide
SMILESCCCCCCC(=O)N(CCN)CCCC
InChIInChI=1S/C13H28N2O/c1-3-5-7-8-9-13(16)15(12-10-14)11-6-4-2/h3-12,14H2,1-2H3
InChIKeyIQALWFHVAILFDT-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.54
Rot. Bonds10

About N-(2-aminoethyl)-N-butylheptanamide

N-(2-aminoethyl)-N-butylheptanamide (PubChem CID 114754100) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butylheptanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butylheptanamide
PubChem CID114754100
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-aminoethyl)-N-butylheptanamide
SMILESCCCCCCC(=O)N(CCN)CCCC
InChIInChI=1S/C13H28N2O/c1-3-5-7-8-9-13(16)15(12-10-14)11-6-4-2/h3-12,14H2,1-2H3
InChIKeyIQALWFHVAILFDT-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-butyl-N-octyldecanamide
CID 18913402
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide
CID 154347241
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N',N'-dioctylhexanediamide
CID 53437404
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butylheptanamide?
The IUPAC name of N-(2-aminoethyl)-N-butylheptanamide (CID 114754100) is N-(2-aminoethyl)-N-butylheptanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butylheptanamide?
The canonical SMILES for N-(2-aminoethyl)-N-butylheptanamide is CCCCCCC(=O)N(CCN)CCCC.
What is the InChIKey of N-(2-aminoethyl)-N-butylheptanamide?
The InChIKey is IQALWFHVAILFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-5-7-8-9-13(16)15(12-10-14)11-6-4-2/h3-12,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butylheptanamide?
N-(2-aminoethyl)-N-butylheptanamide has a molecular weight of 228.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butylheptanamide is sourced from PubChem (CID 114754100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).