(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C17H25ClN2 — CID 155187113

IUPAC(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)(C)N1CCC2(CC1)Cc1cc(Cl)ccc1[C@H]2N
InChIInChI=1S/C17H25ClN2/c1-16(2,3)20-8-6-17(7-9-20)11-12-10-13(18)4-5-14(12)15(17)19/h4-5,10,15H,6-9,11,19H2,1-3H3/t15-/m1/s1
InChIKeyKKXKAVHBICIRKF-OAHLLOKOSA-N
MW292.85 g/mol
LogP3.78
Rot. Bonds

About (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155187113) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155187113
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCC(C)(C)N1CCC2(CC1)Cc1cc(Cl)ccc1[C@H]2N
InChIInChI=1S/C17H25ClN2/c1-16(2,3)20-8-6-17(7-9-20)11-12-10-13(18)4-5-14(12)15(17)19/h4-5,10,15H,6-9,11,19H2,1-3H3/t15-/m1/s1
InChIKeyKKXKAVHBICIRKF-OAHLLOKOSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155187113) is (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CC(C)(C)N1CCC2(CC1)Cc1cc(Cl)ccc1[C@H]2N.
What is the InChIKey of (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is KKXKAVHBICIRKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-16(2,3)20-8-6-17(7-9-20)11-12-10-13(18)4-5-14(12)15(17)19/h4-5,10,15H,6-9,11,19H2,1-3H3/t15-/m1/s1.
What are the key properties of (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 292.85 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-tert-butyl-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155187113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).