2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C18H27ClN2O — CID 120908504

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCC1(C)Cc2cc(CN3CCC4(CCNC4)C3)ccc2O1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-17(2)10-15-9-14(3-4-16(15)21-17)11-20-8-6-18(13-20)5-7-19-12-18;/h3-4,9,19H,5-8,10-13H2,1-2H3;1H
InChIKeyHXCBGKWOUYDJBP-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.01
Rot. Bonds2

About 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908504) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908504
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCC1(C)Cc2cc(CN3CCC4(CCNC4)C3)ccc2O1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-17(2)10-15-9-14(3-4-16(15)21-17)11-20-8-6-18(13-20)5-7-19-12-18;/h3-4,9,19H,5-8,10-13H2,1-2H3;1H
InChIKeyHXCBGKWOUYDJBP-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908504) is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is CC1(C)Cc2cc(CN3CCC4(CCNC4)C3)ccc2O1.Cl.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is HXCBGKWOUYDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-17(2)10-15-9-14(3-4-16(15)21-17)11-20-8-6-18(13-20)5-7-19-12-18;/h3-4,9,19H,5-8,10-13H2,1-2H3;1H.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).