(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C19H27NO3 — CID 97232117

IUPAC(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESc1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCOC[C@@H]1CCCO1
InChIInChI=1S/C19H27NO3/c1-2-7-18-16(6-1)17(13-19(23-18)8-4-9-19)20-10-12-21-14-15-5-3-11-22-15/h1-2,6-7,15,17,20H,3-5,8-14H2/t15-,17-/m0/s1
InChIKeyIPHSGRMOLAFFML-RDJZCZTQSA-N
MW317.43 g/mol
LogP3.22
Rot. Bonds6

About (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 97232117) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID97232117
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESc1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCOC[C@@H]1CCCO1
InChIInChI=1S/C19H27NO3/c1-2-7-18-16(6-1)17(13-19(23-18)8-4-9-19)20-10-12-21-14-15-5-3-11-22-15/h1-2,6-7,15,17,20H,3-5,8-14H2/t15-,17-/m0/s1
InChIKeyIPHSGRMOLAFFML-RDJZCZTQSA-N
XLogP3.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 97232117) is (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCOC[C@@H]1CCCO1.
What is the InChIKey of (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is IPHSGRMOLAFFML-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-7-18-16(6-1)17(13-19(23-18)8-4-9-19)20-10-12-21-14-15-5-3-11-22-15/h1-2,6-7,15,17,20H,3-5,8-14H2/t15-,17-/m0/s1.
What are the key properties of (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 317.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 97232117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).