6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C19H30N2 — CID 79842628

IUPAC6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2Cc3ccccc3C2)CCCC1(C)C
InChIInChI=1S/C19H30N2/c1-4-20-18-17(10-7-11-19(18,2)3)14-21-12-15-8-5-6-9-16(15)13-21/h5-6,8-9,17-18,20H,4,7,10-14H2,1-3H3
InChIKeySFHSJSRLLJMMTQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.81
Rot. Bonds4

About 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79842628) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79842628
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN2Cc3ccccc3C2)CCCC1(C)C
InChIInChI=1S/C19H30N2/c1-4-20-18-17(10-7-11-19(18,2)3)14-21-12-15-8-5-6-9-16(15)13-21/h5-6,8-9,17-18,20H,4,7,10-14H2,1-3H3
InChIKeySFHSJSRLLJMMTQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79842628) is 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(CN2Cc3ccccc3C2)CCCC1(C)C.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is SFHSJSRLLJMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-20-18-17(10-7-11-19(18,2)3)14-21-12-15-8-5-6-9-16(15)13-21/h5-6,8-9,17-18,20H,4,7,10-14H2,1-3H3.
What are the key properties of 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).