2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C16H26N2 — CID 83213581

IUPAC2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCCCC3)cc21
InChIInChI=1S/C16H26N2/c1-17-16-9-5-8-14-11-18(12-15(14)16)10-13-6-3-2-4-7-13/h11-13,16-17H,2-10H2,1H3
InChIKeyPGVXVEBWKOWPPP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds3

About 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213581) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213581
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCCCC3)cc21
InChIInChI=1S/C16H26N2/c1-17-16-9-5-8-14-11-18(12-15(14)16)10-13-6-3-2-4-7-13/h11-13,16-17H,2-10H2,1H3
InChIKeyPGVXVEBWKOWPPP-UHFFFAOYSA-N
XLogP3.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213581) is 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CC3CCCCC3)cc21.
What is the InChIKey of 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is PGVXVEBWKOWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-16-9-5-8-14-11-18(12-15(14)16)10-13-6-3-2-4-7-13/h11-13,16-17H,2-10H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).