N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine

C14H26N2O2 — CID 79605416

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCCn1c(C)cc(CNC(C)C(OC)OC)c1C
InChIInChI=1S/C14H26N2O2/c1-7-16-10(2)8-13(12(16)4)9-15-11(3)14(17-5)18-6/h8,11,14-15H,7,9H2,1-6H3
InChIKeyPFCZYXBYKRSJDU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.22
Rot. Bonds7

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine (PubChem CID 79605416) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine
PubChem CID79605416
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCCn1c(C)cc(CNC(C)C(OC)OC)c1C
InChIInChI=1S/C14H26N2O2/c1-7-16-10(2)8-13(12(16)4)9-15-11(3)14(17-5)18-6/h8,11,14-15H,7,9H2,1-6H3
InChIKeyPFCZYXBYKRSJDU-UHFFFAOYSA-N
XLogP2.22
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine (CID 79605416) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine is CCn1c(C)cc(CNC(C)C(OC)OC)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine?
The InChIKey is PFCZYXBYKRSJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-16-10(2)8-13(12(16)4)9-15-11(3)14(17-5)18-6/h8,11,14-15H,7,9H2,1-6H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine has a molecular weight of 254.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 79605416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).