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

C15H26N2O — CID 103035013

IUPAC2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CCC(C)(C)OC)cc21
InChIInChI=1S/C15H26N2O/c1-15(2,18-4)8-9-17-10-12-6-5-7-14(16-3)13(12)11-17/h10-11,14,16H,5-9H2,1-4H3
InChIKeyLPUCZXRWQNHHDN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.90
Rot. Bonds5

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

2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 103035013) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID103035013
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CCC(C)(C)OC)cc21
InChIInChI=1S/C15H26N2O/c1-15(2,18-4)8-9-17-10-12-6-5-7-14(16-3)13(12)11-17/h10-11,14,16H,5-9H2,1-4H3
InChIKeyLPUCZXRWQNHHDN-UHFFFAOYSA-N
XLogP2.90
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 103035013) is 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CCC(C)(C)OC)cc21.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is LPUCZXRWQNHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,18-4)8-9-17-10-12-6-5-7-14(16-3)13(12)11-17/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 103035013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).