N-(2-bromoethyl)-N-butyl-2-propylpentanamide

C14H28BrNO — CID 82987659

IUPACN-(2-bromoethyl)-N-butyl-2-propylpentanamide
SMILESCCCCN(CCBr)C(=O)C(CCC)CCC
InChIInChI=1S/C14H28BrNO/c1-4-7-11-16(12-10-15)14(17)13(8-5-2)9-6-3/h13H,4-12H2,1-3H3
InChIKeyWXHFGYXHDFIQFP-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.23
Rot. Bonds10

About N-(2-bromoethyl)-N-butyl-2-propylpentanamide

N-(2-bromoethyl)-N-butyl-2-propylpentanamide (PubChem CID 82987659) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2-propylpentanamide
PubChem CID82987659
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(2-bromoethyl)-N-butyl-2-propylpentanamide
SMILESCCCCN(CCBr)C(=O)C(CCC)CCC
InChIInChI=1S/C14H28BrNO/c1-4-7-11-16(12-10-15)14(17)13(8-5-2)9-6-3/h13H,4-12H2,1-3H3
InChIKeyWXHFGYXHDFIQFP-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-bromoethyl(butyl)carbamic acid
CID 87814426
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N,N-dibutyl-2-methylpentanamide
CID 2904869
N-(3-aminopropyl)-N-ethyl-2-propylpentanamide
CID 82984398
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
N-(2-bromoethyl)-2-methyl-N-propylpropanamide
CID 80660221
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N,N-bis(hydroxymethyl)-2-propyloctadecanamide
CID 139887023
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
3-bromopropyl(butyl)carbamic acid
CID 118525445
2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-2-propylpentanamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2-propylpentanamide (CID 82987659) is N-(2-bromoethyl)-N-butyl-2-propylpentanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2-propylpentanamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2-propylpentanamide is CCCCN(CCBr)C(=O)C(CCC)CCC.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2-propylpentanamide?
The InChIKey is WXHFGYXHDFIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-4-7-11-16(12-10-15)14(17)13(8-5-2)9-6-3/h13H,4-12H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2-propylpentanamide?
N-(2-bromoethyl)-N-butyl-2-propylpentanamide has a molecular weight of 306.29 g/mol, XLogP of 4.23, 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-butyl-2-propylpentanamide is sourced from PubChem (CID 82987659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).