2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide

C12H19BrN2O2 — CID 65227055

IUPAC2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-3-4-9(7-14)12(16)15(2)8-10-5-6-11(13)17-10/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyBTVCFUADMQRLDF-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.38
Rot. Bonds6

About 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide

2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide (PubChem CID 65227055) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
PubChem CID65227055
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-3-4-9(7-14)12(16)15(2)8-10-5-6-11(13)17-10/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyBTVCFUADMQRLDF-UHFFFAOYSA-N
XLogP2.38
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide (CID 65227055) is 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide is CCCC(CN)C(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide?
The InChIKey is BTVCFUADMQRLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-4-9(7-14)12(16)15(2)8-10-5-6-11(13)17-10/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide?
2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide has a molecular weight of 303.20 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 65227055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).