8-benzyl-3,8-diazaspiro[5.6]dodecane

C17H26N2 — CID 82665591

IUPAC8-benzyl-3,8-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCCCC3(CCNCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)14-19-13-5-4-8-17(15-19)9-11-18-12-10-17/h1-3,6-7,18H,4-5,8-15H2
InChIKeyGHPPOCWRWQFVSP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds2

About 8-benzyl-3,8-diazaspiro[5.6]dodecane

8-benzyl-3,8-diazaspiro[5.6]dodecane (PubChem CID 82665591) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-benzyl-3,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-benzyl-3,8-diazaspiro[5.6]dodecane
PubChem CID82665591
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-benzyl-3,8-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCCCC3(CCNCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)14-19-13-5-4-8-17(15-19)9-11-18-12-10-17/h1-3,6-7,18H,4-5,8-15H2
InChIKeyGHPPOCWRWQFVSP-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
CID 118960501
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
1-benzylazepane
CID 10954328
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-benzyl-3,8-diazaspiro[5.6]dodecane (CID 82665591) is 8-benzyl-3,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-benzyl-3,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-benzyl-3,8-diazaspiro[5.6]dodecane is c1ccc(CN2CCCCC3(CCNCC3)C2)cc1.
What is the InChIKey of 8-benzyl-3,8-diazaspiro[5.6]dodecane?
The InChIKey is GHPPOCWRWQFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-16(7-3-1)14-19-13-5-4-8-17(15-19)9-11-18-12-10-17/h1-3,6-7,18H,4-5,8-15H2.
What are the key properties of 8-benzyl-3,8-diazaspiro[5.6]dodecane?
8-benzyl-3,8-diazaspiro[5.6]dodecane has a molecular weight of 258.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 82665591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).