2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine

C17H26N2 — CID 55050092

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyAPAMEQUERMKUEU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine

2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 55050092) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID55050092
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyAPAMEQUERMKUEU-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine (CID 55050092) is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is APAMEQUERMKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55050092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).