N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C18H27NO2 — CID 114712323

IUPACN-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCC1CC2(CCO1)CC(NCC)c1ccccc1O2
InChIInChI=1S/C18H27NO2/c1-3-7-14-12-18(10-11-20-14)13-16(19-4-2)15-8-5-6-9-17(15)21-18/h5-6,8-9,14,16,19H,3-4,7,10-13H2,1-2H3
InChIKeyVFUYAERHYPORLY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds4

About N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114712323) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound NameN-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114712323
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCC1CC2(CCO1)CC(NCC)c1ccccc1O2
InChIInChI=1S/C18H27NO2/c1-3-7-14-12-18(10-11-20-14)13-16(19-4-2)15-8-5-6-9-17(15)21-18/h5-6,8-9,14,16,19H,3-4,7,10-13H2,1-2H3
InChIKeyVFUYAERHYPORLY-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114712323) is N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CCCC1CC2(CCO1)CC(NCC)c1ccccc1O2.
What is the InChIKey of N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is VFUYAERHYPORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-7-14-12-18(10-11-20-14)13-16(19-4-2)15-8-5-6-9-17(15)21-18/h5-6,8-9,14,16,19H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114712323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).