decyl 4-amino-1-methylpyrrole-2-carboxylate

C16H28N2O2 — CID 63450419

IUPACdecyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCCCCCCCCCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)2/h12-13H,3-11,17H2,1-2H3
InChIKeyWFHMINUFZXIPBY-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.90
Rot. Bonds10

About decyl 4-amino-1-methylpyrrole-2-carboxylate

decyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 63450419) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is decyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namedecyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID63450419
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namedecyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCCCCCCCCCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)2/h12-13H,3-11,17H2,1-2H3
InChIKeyWFHMINUFZXIPBY-UHFFFAOYSA-N
XLogP3.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze decyl 4-amino-1-methylpyrrole-2-carboxylate 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

nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
decyl 3,5-diaminobenzoate
CID 22501528
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089

Frequently Asked Questions

What is the IUPAC name of decyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of decyl 4-amino-1-methylpyrrole-2-carboxylate (CID 63450419) is decyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for decyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for decyl 4-amino-1-methylpyrrole-2-carboxylate is CCCCCCCCCCOC(=O)c1cc(N)cn1C.
What is the InChIKey of decyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is WFHMINUFZXIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)2/h12-13H,3-11,17H2,1-2H3.
What are the key properties of decyl 4-amino-1-methylpyrrole-2-carboxylate?
decyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 280.41 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 63450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).