11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

C24H31N3O — CID 56754580

IUPAC11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCC2(CC1)CN(Cc1cccc3c1oc1ccccc13)CCCN2C
InChIInChI=1S/C24H31N3O/c1-25-15-11-24(12-16-25)18-27(14-6-13-26(24)2)17-19-7-5-9-21-20-8-3-4-10-22(20)28-23(19)21/h3-5,7-10H,6,11-18H2,1-2H3
InChIKeyDMNUCDRQLAYHIF-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.19
Rot. Bonds2

About 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 56754580) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
PubChem CID56754580
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCC2(CC1)CN(Cc1cccc3c1oc1ccccc13)CCCN2C
InChIInChI=1S/C24H31N3O/c1-25-15-11-24(12-16-25)18-27(14-6-13-26(24)2)17-19-7-5-9-21-20-8-3-4-10-22(20)28-23(19)21/h3-5,7-10H,6,11-18H2,1-2H3
InChIKeyDMNUCDRQLAYHIF-UHFFFAOYSA-N
XLogP4.19
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane with MolForge

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Related Compounds

2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56757492
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 138387348
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138809629
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746498
(6S)-10-ethyl-1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155674
dibenzofuran-4-ylmethanamine
CID 82606963

Frequently Asked Questions

What is the IUPAC name of 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (CID 56754580) is 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is CN1CCC2(CC1)CN(Cc1cccc3c1oc1ccccc13)CCCN2C.
What is the InChIKey of 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is DMNUCDRQLAYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-15-11-24(12-16-25)18-27(14-6-13-26(24)2)17-19-7-5-9-21-20-8-3-4-10-22(20)28-23(19)21/h3-5,7-10H,6,11-18H2,1-2H3.
What are the key properties of 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 377.53 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 56754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).