2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol

C17H26N2O2 — CID 82959521

IUPAC2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
SMILESCN1CCCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)12-15(19-8-4-7-18(3)9-10-19)14-6-5-13(20)11-16(14)21-17/h5-6,11,15,20H,4,7-10,12H2,1-3H3
InChIKeyDDHSSXADSHQPLX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds1

About 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol

2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol (PubChem CID 82959521) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
PubChem CID82959521
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol
SMILESCN1CCCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)12-15(19-8-4-7-18(3)9-10-19)14-6-5-13(20)11-16(14)21-17/h5-6,11,15,20H,4,7-10,12H2,1-3H3
InChIKeyDDHSSXADSHQPLX-UHFFFAOYSA-N
XLogP2.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 82958421
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 104969291
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2,2-dimethyl-4-[methyl(oxan-4-yl)amino]-3,4-dihydrochromen-7-ol
CID 82957858
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]-3,4-dihydrochromen-7-ol
CID 82958270
1-[7-(benzenesulfonyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine
CID 11632445
(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-3,4-dihydrochromen-7-ol
CID 82965841
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,4-diazepane
CID 22448543

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol (CID 82959521) is 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol is CN1CCCN(C2CC(C)(C)Oc3cc(O)ccc32)CC1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol?
The InChIKey is DDHSSXADSHQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)12-15(19-8-4-7-18(3)9-10-19)14-6-5-13(20)11-16(14)21-17/h5-6,11,15,20H,4,7-10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol?
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol has a molecular weight of 290.41 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 82959521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).