N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine

C16H24N4 — CID 83214118

IUPACN-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCCn3ccnc3)cc21
InChIInChI=1S/C16H24N4/c1-2-18-16-6-3-5-14-11-20(12-15(14)16)9-4-8-19-10-7-17-13-19/h7,10-13,16,18H,2-6,8-9H2,1H3
InChIKeyUTKGFALZMNIGSU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine

N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83214118) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83214118
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCCn3ccnc3)cc21
InChIInChI=1S/C16H24N4/c1-2-18-16-6-3-5-14-11-20(12-15(14)16)9-4-8-19-10-7-17-13-19/h7,10-13,16,18H,2-6,8-9H2,1H3
InChIKeyUTKGFALZMNIGSU-UHFFFAOYSA-N
XLogP2.76
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208473
N-ethyl-2-hexyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208481
N-ethyl-2-octyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83211549
N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214574
2-(3,3-dimethylbutyl)-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214042
N-ethyl-2-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214039
2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213019
N-ethyl-2-(2-methylsulfanylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 113473977
N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83216620
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 103035014
2-[2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]ethoxy]ethanol
CID 83212664
N-ethyl-2-(2-propoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 106455369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83214118) is N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(CCCn3ccnc3)cc21.
What is the InChIKey of N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is UTKGFALZMNIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-18-16-6-3-5-14-11-20(12-15(14)16)9-4-8-19-10-7-17-13-19/h7,10-13,16,18H,2-6,8-9H2,1H3.
What are the key properties of N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83214118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).