2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine

C16H24N2 — CID 62616887

IUPAC2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1Cc2ccccc2C1
InChIInChI=1S/C16H24N2/c1-17-16-9-5-4-8-15(16)12-18-10-13-6-2-3-7-14(13)11-18/h2-3,6-7,15-17H,4-5,8-12H2,1H3
InChIKeyQLXWXPCBIXUNRU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.78
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine

2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 62616887) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID62616887
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1Cc2ccccc2C1
InChIInChI=1S/C16H24N2/c1-17-16-9-5-4-8-15(16)12-18-10-13-6-2-3-7-14(13)11-18/h2-3,6-7,15-17H,4-5,8-12H2,1H3
InChIKeyQLXWXPCBIXUNRU-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.78
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-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine (CID 62616887) is 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine is CNC1CCCCC1CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is QLXWXPCBIXUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-16-9-5-4-8-15(16)12-18-10-13-6-2-3-7-14(13)11-18/h2-3,6-7,15-17H,4-5,8-12H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine?
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.78, 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-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62616887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).