N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine

C12H23N3O — CID 114528660

IUPACN-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
SMILESCCNC(CCCc1nccn1C)COC
InChIInChI=1S/C12H23N3O/c1-4-13-11(10-16-3)6-5-7-12-14-8-9-15(12)2/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyVUTNDHRBOLVHQB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds8

About N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine

N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine (PubChem CID 114528660) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
PubChem CID114528660
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
SMILESCCNC(CCCc1nccn1C)COC
InChIInChI=1S/C12H23N3O/c1-4-13-11(10-16-3)6-5-7-12-14-8-9-15(12)2/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyVUTNDHRBOLVHQB-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-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

Related Compounds

1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249
2-(5-chloro-4-methylpentyl)-1-methylimidazole
CID 114532201
2-(4-bromohexyl)-1-methylimidazole
CID 79762311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine (CID 114528660) is N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine is CCNC(CCCc1nccn1C)COC.
What is the InChIKey of N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine?
The InChIKey is VUTNDHRBOLVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-13-11(10-16-3)6-5-7-12-14-8-9-15(12)2/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine?
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 114528660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).