N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine

C16H28N2O — CID 103035014

IUPACN-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCC(C)(C)OC)cc21
InChIInChI=1S/C16H28N2O/c1-5-17-15-8-6-7-13-11-18(12-14(13)15)10-9-16(2,3)19-4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyLJJXNKNCBBQQBD-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds6

About N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine

N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 103035014) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID103035014
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCC(C)(C)OC)cc21
InChIInChI=1S/C16H28N2O/c1-5-17-15-8-6-7-13-11-18(12-14(13)15)10-9-16(2,3)19-4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyLJJXNKNCBBQQBD-UHFFFAOYSA-N
XLogP3.29
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutyl)-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214042
N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83216620
N-ethyl-2-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214039
2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 103034936
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214267
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
N-ethyl-2-octyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83211549
N-ethyl-2-(2-methylsulfanylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 113473977
N-ethyl-2-hexyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208481
N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214118
N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83211807

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 103035014) is N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(CCC(C)(C)OC)cc21.
What is the InChIKey of N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is LJJXNKNCBBQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-15-8-6-7-13-11-18(12-14(13)15)10-9-16(2,3)19-4/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 103035014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).