3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine

C13H26N4O — CID 106567740

IUPAC3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOCCn1cc(C)nc1NC(C)CCN(C)C
InChIInChI=1S/C13H26N4O/c1-11(6-7-16(3)4)14-13-15-12(2)10-17(13)8-9-18-5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyKRRMQMALQRNADC-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.59
Rot. Bonds8

About 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 106567740) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID106567740
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOCCn1cc(C)nc1NC(C)CCN(C)C
InChIInChI=1S/C13H26N4O/c1-11(6-7-16(3)4)14-13-15-12(2)10-17(13)8-9-18-5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyKRRMQMALQRNADC-UHFFFAOYSA-N
XLogP1.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine 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 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 106567740) is 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine is COCCn1cc(C)nc1NC(C)CCN(C)C.
What is the InChIKey of 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is KRRMQMALQRNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(6-7-16(3)4)14-13-15-12(2)10-17(13)8-9-18-5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 106567740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).