2-(2-aminoethyl)-2,8-dibromononanamide

C11H22Br2N2O — CID 175345055

IUPAC2-(2-aminoethyl)-2,8-dibromononanamide
SMILESCC(Br)CCCCCC(Br)(CCN)C(N)=O
InChIInChI=1S/C11H22Br2N2O/c1-9(12)5-3-2-4-6-11(13,7-8-14)10(15)16/h9H,2-8,14H2,1H3,(H2,15,16)
InChIKeyOXNUVUVGAFAQNM-UHFFFAOYSA-N
MW358.12 g/mol
LogP2.69
Rot. Bonds9

About 2-(2-aminoethyl)-2,8-dibromononanamide

2-(2-aminoethyl)-2,8-dibromononanamide (PubChem CID 175345055) has the molecular formula C11H22Br2N2O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2,8-dibromononanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-2,8-dibromononanamide
PubChem CID175345055
Molecular FormulaC11H22Br2N2O
Molecular Weight358.12 g/mol
Exact Mass356.01
IUPAC Name2-(2-aminoethyl)-2,8-dibromononanamide
SMILESCC(Br)CCCCCC(Br)(CCN)C(N)=O
InChIInChI=1S/C11H22Br2N2O/c1-9(12)5-3-2-4-6-11(13,7-8-14)10(15)16/h9H,2-8,14H2,1H3,(H2,15,16)
InChIKeyOXNUVUVGAFAQNM-UHFFFAOYSA-N
XLogP2.69
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-2-bromohexadecanoic acid
CID 87421533
9-aminononanoic acid;9-bromodecanoic acid
CID 87177753
2,13-dibromotetradecane
CID 150586187
15-bromohexadecanoic acid
CID 22242436
9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005
6-bromoheptanoic acid
CID 18767531
2-bromo-8-methylnonane
CID 83169222
2-bromo-2-pentyloctanoic acid
CID 178066867
1,6-dibromoheptane
CID 12575830
4-amino-2,2-dimethylbutanamide
CID 23366310
1,7-dibromooctane
CID 14490019

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-2,8-dibromononanamide?
The IUPAC name of 2-(2-aminoethyl)-2,8-dibromononanamide (CID 175345055) is 2-(2-aminoethyl)-2,8-dibromononanamide.
What is the SMILES notation for 2-(2-aminoethyl)-2,8-dibromononanamide?
The canonical SMILES for 2-(2-aminoethyl)-2,8-dibromononanamide is CC(Br)CCCCCC(Br)(CCN)C(N)=O.
What is the InChIKey of 2-(2-aminoethyl)-2,8-dibromononanamide?
The InChIKey is OXNUVUVGAFAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2N2O/c1-9(12)5-3-2-4-6-11(13,7-8-14)10(15)16/h9H,2-8,14H2,1H3,(H2,15,16).
What are the key properties of 2-(2-aminoethyl)-2,8-dibromononanamide?
2-(2-aminoethyl)-2,8-dibromononanamide has a molecular weight of 358.12 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2,8-dibromononanamide is sourced from PubChem (CID 175345055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).