tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate

C19H28N2O3 — CID 72698425

IUPACtert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate
SMILESCN1CCC2(CC1)CC(N)c1cc(C(=O)OC(C)(C)C)ccc1O2
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)13-5-6-16-14(11-13)15(20)12-19(23-16)7-9-21(4)10-8-19/h5-6,11,15H,7-10,12,20H2,1-4H3
InChIKeyKEVGIJWHXVPNFN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.89
Rot. Bonds1

About tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate

tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate (PubChem CID 72698425) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate
PubChem CID72698425
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate
SMILESCN1CCC2(CC1)CC(N)c1cc(C(=O)OC(C)(C)C)ccc1O2
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)13-5-6-16-14(11-13)15(20)12-19(23-16)7-9-21(4)10-8-19/h5-6,11,15H,7-10,12,20H2,1-4H3
InChIKeyKEVGIJWHXVPNFN-UHFFFAOYSA-N
XLogP2.89
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
CID 165483559
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463054
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946467
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate?
The IUPAC name of tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate (CID 72698425) is tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate?
The canonical SMILES for tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate is CN1CCC2(CC1)CC(N)c1cc(C(=O)OC(C)(C)C)ccc1O2.
What is the InChIKey of tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate?
The InChIKey is KEVGIJWHXVPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)13-5-6-16-14(11-13)15(20)12-19(23-16)7-9-21(4)10-8-19/h5-6,11,15H,7-10,12,20H2,1-4H3.
What are the key properties of tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate?
tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate is sourced from PubChem (CID 72698425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).