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

C17H25NO2 — CID 114712062

IUPACN-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccccc21
InChIInChI=1S/C17H25NO2/c1-12(2)16-11-17(8-9-19-16)10-14(18-3)13-6-4-5-7-15(13)20-17/h4-7,12,14,16,18H,8-11H2,1-3H3
InChIKeyITFNDQZHKNLXCN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.30
Rot. Bonds2

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

N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114712062) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound NameN-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114712062
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccccc21
InChIInChI=1S/C17H25NO2/c1-12(2)16-11-17(8-9-19-16)10-14(18-3)13-6-4-5-7-15(13)20-17/h4-7,12,14,16,18H,8-11H2,1-3H3
InChIKeyITFNDQZHKNLXCN-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114712062) is N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CNC1CC2(CCOC(C(C)C)C2)Oc2ccccc21.
What is the InChIKey of N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is ITFNDQZHKNLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)16-11-17(8-9-19-16)10-14(18-3)13-6-4-5-7-15(13)20-17/h4-7,12,14,16,18H,8-11H2,1-3H3.
What are the key properties of N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114712062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).