2-bromo-N,N-di(propan-2-yl)butanamide

C10H20BrNO — CID 13036616

IUPAC2-bromo-N,N-di(propan-2-yl)butanamide
SMILESCCC(Br)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H20BrNO/c1-6-9(11)10(13)12(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyWLQTYWSUGCBMQY-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds4

About 2-bromo-N,N-di(propan-2-yl)butanamide

2-bromo-N,N-di(propan-2-yl)butanamide (PubChem CID 13036616) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N,N-di(propan-2-yl)butanamide
PubChem CID13036616
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N,N-di(propan-2-yl)butanamide
SMILESCCC(Br)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H20BrNO/c1-6-9(11)10(13)12(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyWLQTYWSUGCBMQY-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

2-Bromo-N,N-dibutylacetamide
CID 3016161
3-Bromo-1-(propan-2-yl)pyrrolidin-2-one
CID 63788047
N,N-bis(isopropyl)-2-bromoacetamide
CID 10900191
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
2,3-Dibromopropionic acid butylmethylamide
CID 153408973
2,3-Dibromo succnic acid N,N-diethylamide
CID 284856
2-Bromo-n,n-dipropylpropanamide
CID 225551
delta-Bromopentanoic acid diisopropylamide
CID 85997988
Bromopentanoic acid diisopropylamide
CID 129801616
2,2-dibromo-N,N-diisopropylpropanamide
CID 145721522
2,2-dibromon,N-diisopropylpropanamide
CID 145722132
2-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 55125693

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 2-bromo-N,N-di(propan-2-yl)butanamide (CID 13036616) is 2-bromo-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 2-bromo-N,N-di(propan-2-yl)butanamide is CCC(Br)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-N,N-di(propan-2-yl)butanamide?
The InChIKey is WLQTYWSUGCBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-6-9(11)10(13)12(7(2)3)8(4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-bromo-N,N-di(propan-2-yl)butanamide?
2-bromo-N,N-di(propan-2-yl)butanamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 13036616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).