3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane

C20H22N2O — CID 22057926

IUPAC3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc3oc4ccccc4c3c1)CC2
InChIInChI=1S/C20H22N2O/c1-21-14-6-7-16(21)13-22(11-10-14)15-8-9-20-18(12-15)17-4-2-3-5-19(17)23-20/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3
InChIKeyNHCYTFZNLJZLNX-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.26
Rot. Bonds1

About 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane

3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 22057926) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID22057926
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc3oc4ccccc4c3c1)CC2
InChIInChI=1S/C20H22N2O/c1-21-14-6-7-16(21)13-22(11-10-14)15-8-9-20-18(12-15)17-4-2-3-5-19(17)23-20/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3
InChIKeyNHCYTFZNLJZLNX-UHFFFAOYSA-N
XLogP4.26
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
CID 83127559
1-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phthalazine
CID 79165650
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine
CID 62976689
[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
CID 113320423
1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939269
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
CID 59146950

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 22057926) is 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane is CN1C2CCC1CN(c1ccc3oc4ccccc4c3c1)CC2.
What is the InChIKey of 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is NHCYTFZNLJZLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-21-14-6-7-16(21)13-22(11-10-14)15-8-9-20-18(12-15)17-4-2-3-5-19(17)23-20/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3.
What are the key properties of 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 306.41 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 22057926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).