2-bromo-N-[(2-methylpropylamino)methyl]acetamide

C7H15BrN2O — CID 142215983

IUPAC2-bromo-N-[(2-methylpropylamino)methyl]acetamide
SMILESCC(C)CNCNC(=O)CBr
InChIInChI=1S/C7H15BrN2O/c1-6(2)4-9-5-10-7(11)3-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyVXWSTXYXBVPDGS-UHFFFAOYSA-N
MW223.11 g/mol
LogP0.70
Rot. Bonds5

About 2-bromo-N-[(2-methylpropylamino)methyl]acetamide

2-bromo-N-[(2-methylpropylamino)methyl]acetamide (PubChem CID 142215983) has the molecular formula C7H15BrN2O and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-bromo-N-[(2-methylpropylamino)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(2-methylpropylamino)methyl]acetamide
PubChem CID142215983
Molecular FormulaC7H15BrN2O
Molecular Weight223.11 g/mol
Exact Mass222.04
IUPAC Name2-bromo-N-[(2-methylpropylamino)methyl]acetamide
SMILESCC(C)CNCNC(=O)CBr
InChIInChI=1S/C7H15BrN2O/c1-6(2)4-9-5-10-7(11)3-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyVXWSTXYXBVPDGS-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 50.70
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
CID 143703528
2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane
CID 157499049
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(dimethylamino)-4-methylpentanamide
CID 88872227
ethane;N-(2-methylpropyl)acetamide
CID 142232237
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
methyl 2-(2-methylpropylamino)acetate
CID 22175789
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
CID 175939227
CID 175939227
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methylpropylamino)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(2-methylpropylamino)methyl]acetamide (CID 142215983) is 2-bromo-N-[(2-methylpropylamino)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(2-methylpropylamino)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(2-methylpropylamino)methyl]acetamide is CC(C)CNCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[(2-methylpropylamino)methyl]acetamide?
The InChIKey is VXWSTXYXBVPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O/c1-6(2)4-9-5-10-7(11)3-8/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-bromo-N-[(2-methylpropylamino)methyl]acetamide?
2-bromo-N-[(2-methylpropylamino)methyl]acetamide has a molecular weight of 223.11 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methylpropylamino)methyl]acetamide is sourced from PubChem (CID 142215983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).