2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide

C14H24N2O2 — CID 115187599

IUPAC2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCc1ccc(CCN(C)C(=O)C(CN)C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)13(9-15)14(17)16(4)8-7-12-6-5-11(3)18-12/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyWDAOEFZMAJNJEW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds6

About 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide

2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide (PubChem CID 115187599) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
PubChem CID115187599
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCc1ccc(CCN(C)C(=O)C(CN)C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)13(9-15)14(17)16(4)8-7-12-6-5-11(3)18-12/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyWDAOEFZMAJNJEW-UHFFFAOYSA-N
XLogP1.82
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide (CID 115187599) is 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide is Cc1ccc(CCN(C)C(=O)C(CN)C(C)C)o1.
What is the InChIKey of 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The InChIKey is WDAOEFZMAJNJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)13(9-15)14(17)16(4)8-7-12-6-5-11(3)18-12/h5-6,10,13H,7-9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 115187599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).