N-(2-bromoethyl)-N-propan-2-ylnonanamide

C14H28BrNO — CID 80665371

IUPACN-(2-bromoethyl)-N-propan-2-ylnonanamide
SMILESCCCCCCCCC(=O)N(CCBr)C(C)C
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-14(17)16(12-11-15)13(2)3/h13H,4-12H2,1-3H3
InChIKeyMYBSFWMTHMZSKM-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.37
Rot. Bonds10

About N-(2-bromoethyl)-N-propan-2-ylnonanamide

N-(2-bromoethyl)-N-propan-2-ylnonanamide (PubChem CID 80665371) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-ylnonanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-ylnonanamide
PubChem CID80665371
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(2-bromoethyl)-N-propan-2-ylnonanamide
SMILESCCCCCCCCC(=O)N(CCBr)C(C)C
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-14(17)16(12-11-15)13(2)3/h13H,4-12H2,1-3H3
InChIKeyMYBSFWMTHMZSKM-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-(2-bromoethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 80665156
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-ylnonanamide?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-ylnonanamide (CID 80665371) is N-(2-bromoethyl)-N-propan-2-ylnonanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-ylnonanamide?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-ylnonanamide is CCCCCCCCC(=O)N(CCBr)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-ylnonanamide?
The InChIKey is MYBSFWMTHMZSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-4-5-6-7-8-9-10-14(17)16(12-11-15)13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-ylnonanamide?
N-(2-bromoethyl)-N-propan-2-ylnonanamide has a molecular weight of 306.29 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propan-2-ylnonanamide is sourced from PubChem (CID 80665371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).