6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C18H28N2O2 — CID 82463054

IUPAC6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCC(C)Oc1ccc2c(c1)C(N)CC1(CCN(C)CC1)O2
InChIInChI=1S/C18H28N2O2/c1-4-13(2)21-14-5-6-17-15(11-14)16(19)12-18(22-17)7-9-20(3)10-8-18/h5-6,11,13,16H,4,7-10,12,19H2,1-3H3
InChIKeyKTONQNHPAYKGAZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds3

About 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 82463054) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID82463054
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCC(C)Oc1ccc2c(c1)C(N)CC1(CCN(C)CC1)O2
InChIInChI=1S/C18H28N2O2/c1-4-13(2)21-14-5-6-17-15(11-14)16(19)12-18(22-17)7-9-20(3)10-8-18/h5-6,11,13,16H,4,7-10,12,19H2,1-3H3
InChIKeyKTONQNHPAYKGAZ-UHFFFAOYSA-N
XLogP3.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate
CID 72698425
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946467
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 82463054) is 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CCC(C)Oc1ccc2c(c1)C(N)CC1(CCN(C)CC1)O2.
What is the InChIKey of 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is KTONQNHPAYKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-13(2)21-14-5-6-17-15(11-14)16(19)12-18(22-17)7-9-20(3)10-8-18/h5-6,11,13,16H,4,7-10,12,19H2,1-3H3.
What are the key properties of 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 304.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 82463054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).