6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide

C14H23BrN2O2 — CID 65292328

IUPAC6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H23BrN2O2/c1-14(2,8-9-16)7-6-13(18)17(3)10-11-4-5-12(15)19-11/h4-5H,6-10,16H2,1-3H3
InChIKeyHYEFBJBHQYWNRD-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.16
Rot. Bonds7

About 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide

6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide (PubChem CID 65292328) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
PubChem CID65292328
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H23BrN2O2/c1-14(2,8-9-16)7-6-13(18)17(3)10-11-4-5-12(15)19-11/h4-5H,6-10,16H2,1-3H3
InChIKeyHYEFBJBHQYWNRD-UHFFFAOYSA-N
XLogP3.16
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 78868085
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548846
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
CID 65227055
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide?
The IUPAC name of 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide (CID 65292328) is 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide?
The canonical SMILES for 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide is CN(Cc1ccc(Br)o1)C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide?
The InChIKey is HYEFBJBHQYWNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-14(2,8-9-16)7-6-13(18)17(3)10-11-4-5-12(15)19-11/h4-5H,6-10,16H2,1-3H3.
What are the key properties of 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide?
6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide has a molecular weight of 331.25 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide is sourced from PubChem (CID 65292328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).