7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine

C14H20N2 — CID 152589250

IUPAC7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine
SMILESCc1cc(N)cc2c1CNC21CCCCC1
InChIInChI=1S/C14H20N2/c1-10-7-11(15)8-13-12(10)9-16-14(13)5-3-2-4-6-14/h7-8,16H,2-6,9,15H2,1H3
InChIKeyYVCVHTFZAYUKJB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.84
Rot. Bonds

About 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine

7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine (PubChem CID 152589250) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine.

Molecular Properties

Compound Name7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine
PubChem CID152589250
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine
SMILESCc1cc(N)cc2c1CNC21CCCCC1
InChIInChI=1S/C14H20N2/c1-10-7-11(15)8-13-12(10)9-16-14(13)5-3-2-4-6-14/h7-8,16H,2-6,9,15H2,1H3
InChIKeyYVCVHTFZAYUKJB-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine?
The IUPAC name of 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine (CID 152589250) is 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine.
What is the SMILES notation for 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine?
The canonical SMILES for 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine is Cc1cc(N)cc2c1CNC21CCCCC1.
What is the InChIKey of 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine?
The InChIKey is YVCVHTFZAYUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-7-11(15)8-13-12(10)9-16-14(13)5-3-2-4-6-14/h7-8,16H,2-6,9,15H2,1H3.
What are the key properties of 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine?
7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine has a molecular weight of 216.33 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[1,2-dihydroisoindole-3,1'-cyclohexane]-5-amine is sourced from PubChem (CID 152589250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).