7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

C18H25NO2 — CID 62311714

IUPAC7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCC#CCOc1ccc2c(c1)OC(C)(C)CC2NCCC
InChIInChI=1S/C18H25NO2/c1-5-7-11-20-14-8-9-15-16(19-10-6-2)13-18(3,4)21-17(15)12-14/h8-9,12,16,19H,6,10-11,13H2,1-4H3
InChIKeyMVKGPVIUCXRGIK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds5

About 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 62311714) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID62311714
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCC#CCOc1ccc2c(c1)OC(C)(C)CC2NCCC
InChIInChI=1S/C18H25NO2/c1-5-7-11-20-14-8-9-15-16(19-10-6-2)13-18(3,4)21-17(15)12-14/h8-9,12,16,19H,6,10-11,13H2,1-4H3
InChIKeyMVKGPVIUCXRGIK-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
7-but-2-ynoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 62312344
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 57258878
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
CID 64697481
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436

Frequently Asked Questions

What is the IUPAC name of 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (CID 62311714) is 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is CC#CCOc1ccc2c(c1)OC(C)(C)CC2NCCC.
What is the InChIKey of 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is MVKGPVIUCXRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-7-11-20-14-8-9-15-16(19-10-6-2)13-18(3,4)21-17(15)12-14/h8-9,12,16,19H,6,10-11,13H2,1-4H3.
What are the key properties of 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 287.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 62311714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).