2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

C14H20N2O3 — CID 115187485

IUPAC2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCc1cc2c(cc1NC(=O)C(CN)C(C)C)OCO2
InChIInChI=1S/C14H20N2O3/c1-8(2)10(6-15)14(17)16-11-5-13-12(4-9(11)3)18-7-19-13/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyIWELIVLCMUUDRU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (PubChem CID 115187485) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
PubChem CID115187485
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCc1cc2c(cc1NC(=O)C(CN)C(C)C)OCO2
InChIInChI=1S/C14H20N2O3/c1-8(2)10(6-15)14(17)16-11-5-13-12(4-9(11)3)18-7-19-13/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyIWELIVLCMUUDRU-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide
CID 65225135
2-(aminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115186861
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 75519038
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115188767
2-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanamide
CID 167856891
2-methyl-N'-(6-methyl-1,3-benzodioxol-5-yl)butane-1,4-diamine
CID 115203011
2,2-dimethyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115163959
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286
N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
CID 65225971
4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (CID 115187485) is 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is Cc1cc2c(cc1NC(=O)C(CN)C(C)C)OCO2.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The InChIKey is IWELIVLCMUUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)10(6-15)14(17)16-11-5-13-12(4-9(11)3)18-7-19-13/h4-5,8,10H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is sourced from PubChem (CID 115187485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).