N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C18H27NO2 — CID 114712585

IUPACN,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-12(2)17-11-18(7-8-20-17)10-15(19-4)14-9-13(3)5-6-16(14)21-18/h5-6,9,12,15,17,19H,7-8,10-11H2,1-4H3
InChIKeyKQXCILKOHIGJGL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds2

About N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114712585) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114712585
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-12(2)17-11-18(7-8-20-17)10-15(19-4)14-9-13(3)5-6-16(14)21-18/h5-6,9,12,15,17,19H,7-8,10-11H2,1-4H3
InChIKeyKQXCILKOHIGJGL-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710536
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
1'-cyclopropyl-N,6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712574
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711261
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 104945729
(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114712585) is N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CNC1CC2(CCOC(C(C)C)C2)Oc2ccc(C)cc21.
What is the InChIKey of N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is KQXCILKOHIGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(2)17-11-18(7-8-20-17)10-15(19-4)14-9-13(3)5-6-16(14)21-18/h5-6,9,12,15,17,19H,7-8,10-11H2,1-4H3.
What are the key properties of N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114712585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).