N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine

C12H23N3 — CID 82903925

IUPACN-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)C)c1cncn1C
InChIInChI=1S/C12H23N3/c1-5-14-11(7-6-10(2)3)12-8-13-9-15(12)4/h8-11,14H,5-7H2,1-4H3
InChIKeySFJBDGPOISCCMT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine

N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine (PubChem CID 82903925) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
PubChem CID82903925
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)C)c1cncn1C
InChIInChI=1S/C12H23N3/c1-5-14-11(7-6-10(2)3)12-8-13-9-15(12)4/h8-11,14H,5-7H2,1-4H3
InChIKeySFJBDGPOISCCMT-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(3-methylimidazol-4-yl)pentyl]hydrazine
CID 105264513
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068
N-ethyl-1-(3-methylimidazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 82903049
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 114224922
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
CID 82902041
1-(3-methylimidazol-4-yl)pentylhydrazine
CID 105264511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine (CID 82903925) is N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine is CCNC(CCC(C)C)c1cncn1C.
What is the InChIKey of N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The InChIKey is SFJBDGPOISCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-14-11(7-6-10(2)3)12-8-13-9-15(12)4/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine is sourced from PubChem (CID 82903925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).