2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine

C13H22N2 — CID 161028820

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1=NCC2=C1CCCC2
InChIInChI=1S/C13H22N2/c1-13(2,3)15-9-12-11-7-5-4-6-10(11)8-14-12/h15H,4-9H2,1-3H3
InChIKeyTZILOMMUXMFBFU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine

2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine (PubChem CID 161028820) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine
PubChem CID161028820
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1=NCC2=C1CCCC2
InChIInChI=1S/C13H22N2/c1-13(2,3)15-9-12-11-7-5-4-6-10(11)8-14-12/h15H,4-9H2,1-3H3
InChIKeyTZILOMMUXMFBFU-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine (CID 161028820) is 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine is CC(C)(C)NCC1=NCC2=C1CCCC2.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine?
The InChIKey is TZILOMMUXMFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)15-9-12-11-7-5-4-6-10(11)8-14-12/h15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine?
2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 161028820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).