3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine

C11H21N3 — CID 114529364

IUPAC3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)CCc1nccn1C
InChIInChI=1S/C11H21N3/c1-4-11(12,5-2)7-6-10-13-8-9-14(10)3/h8-9H,4-7,12H2,1-3H3
InChIKeyKQLITYXXXGRHGJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.87
Rot. Bonds5

About 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine

3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine (PubChem CID 114529364) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
PubChem CID114529364
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)CCc1nccn1C
InChIInChI=1S/C11H21N3/c1-4-11(12,5-2)7-6-10-13-8-9-14(10)3/h8-9H,4-7,12H2,1-3H3
InChIKeyKQLITYXXXGRHGJ-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-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

2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 79744904
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
azane;1-methyl-2-propylimidazole
CID 174525892
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529358
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine?
The IUPAC name of 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine (CID 114529364) is 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine?
The canonical SMILES for 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine is CCC(N)(CC)CCc1nccn1C.
What is the InChIKey of 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine?
The InChIKey is KQLITYXXXGRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(12,5-2)7-6-10-13-8-9-14(10)3/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine?
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine is sourced from PubChem (CID 114529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).