N-(2-aminoethyl)-7-methyloctanamide

C11H24N2O — CID 145373236

IUPACN-(2-aminoethyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)NCCN
InChIInChI=1S/C11H24N2O/c1-10(2)6-4-3-5-7-11(14)13-9-8-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyOPRIUKFYCRVMFA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.67
Rot. Bonds8

About N-(2-aminoethyl)-7-methyloctanamide

N-(2-aminoethyl)-7-methyloctanamide (PubChem CID 145373236) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-7-methyloctanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-7-methyloctanamide
PubChem CID145373236
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(2-aminoethyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)NCCN
InChIInChI=1S/C11H24N2O/c1-10(2)6-4-3-5-7-11(14)13-9-8-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyOPRIUKFYCRVMFA-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.67
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

3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-butyl-7-methyloctanamide
CID 154028337
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-hexyl-6-methylheptanamide
CID 141197249
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
N-(2-aminoethyl)nonanamide
CID 13028008
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
2-(12-methyltridecanoylamino)ethanesulfonic acid
CID 87792920
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-7-methyloctanamide?
The IUPAC name of N-(2-aminoethyl)-7-methyloctanamide (CID 145373236) is N-(2-aminoethyl)-7-methyloctanamide.
What is the SMILES notation for N-(2-aminoethyl)-7-methyloctanamide?
The canonical SMILES for N-(2-aminoethyl)-7-methyloctanamide is CC(C)CCCCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-7-methyloctanamide?
The InChIKey is OPRIUKFYCRVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)6-4-3-5-7-11(14)13-9-8-12/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-7-methyloctanamide?
N-(2-aminoethyl)-7-methyloctanamide has a molecular weight of 200.33 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-7-methyloctanamide is sourced from PubChem (CID 145373236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).