1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane

C17H26N2O2 — CID 64940361

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(CCc2ccc3c(c2)OCCO3)CCCN1
InChIInChI=1S/C17H26N2O2/c1-17(2)13-19(8-3-7-18-17)9-6-14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12,18H,3,6-11,13H2,1-2H3
InChIKeyONQDNXDVMGRLPL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane (PubChem CID 64940361) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
PubChem CID64940361
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(CCc2ccc3c(c2)OCCO3)CCCN1
InChIInChI=1S/C17H26N2O2/c1-17(2)13-19(8-3-7-18-17)9-6-14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12,18H,3,6-11,13H2,1-2H3
InChIKeyONQDNXDVMGRLPL-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 99782597
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
CID 63788370
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
CID 64925974
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82243835
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide
CID 138006464
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
CID 167940830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane (CID 64940361) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane is CC1(C)CN(CCc2ccc3c(c2)OCCO3)CCCN1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane?
The InChIKey is ONQDNXDVMGRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)13-19(8-3-7-18-17)9-6-14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12,18H,3,6-11,13H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane has a molecular weight of 290.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 64940361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).