N-(3-bromopropyl)-N-propan-2-ylbutanamide

C10H20BrNO — CID 80662184

IUPACN-(3-bromopropyl)-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(CCCBr)C(C)C
InChIInChI=1S/C10H20BrNO/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8H2,1-3H3
InChIKeyPAAQPMPEJDXSGI-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds6

About N-(3-bromopropyl)-N-propan-2-ylbutanamide

N-(3-bromopropyl)-N-propan-2-ylbutanamide (PubChem CID 80662184) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-ylbutanamide
PubChem CID80662184
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(3-bromopropyl)-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(CCCBr)C(C)C
InChIInChI=1S/C10H20BrNO/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8H2,1-3H3
InChIKeyPAAQPMPEJDXSGI-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.81
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

N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
CID 103166636
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
N-heptan-2-yl-N-hexylbutanamide
CID 89281566

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-propan-2-ylbutanamide?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-ylbutanamide (CID 80662184) is N-(3-bromopropyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-ylbutanamide is CCCC(=O)N(CCCBr)C(C)C.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-ylbutanamide?
The InChIKey is PAAQPMPEJDXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-ylbutanamide?
N-(3-bromopropyl)-N-propan-2-ylbutanamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 80662184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).