2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine

C24H38N4O — CID 122096454

IUPAC2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine
SMILESN/C(=N\CC1CN(Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1
InChIInChI=1S/C24H38N4O/c25-23(27-22-10-6-1-2-7-11-22)26-16-21-18-28(17-20-8-4-3-5-9-20)19-24(21)12-14-29-15-13-24/h3-5,8-9,21-22H,1-2,6-7,10-19H2,(H3,25,26,27)
InChIKeyOPPWRFBUCCMBPC-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.54
Rot. Bonds5

About 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine

2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine (PubChem CID 122096454) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine.

Molecular Properties

Compound Name2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine
PubChem CID122096454
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine
SMILESN/C(=N\CC1CN(Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1
InChIInChI=1S/C24H38N4O/c25-23(27-22-10-6-1-2-7-11-22)26-16-21-18-28(17-20-8-4-3-5-9-20)19-24(21)12-14-29-15-13-24/h3-5,8-9,21-22H,1-2,6-7,10-19H2,(H3,25,26,27)
InChIKeyOPPWRFBUCCMBPC-UHFFFAOYSA-N
XLogP3.54
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552
2-benzyl-8-oxa-2-azaspiro[4.5]decane-4-carbaldehyde
CID 170758168
1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
CID 111084505
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111084415
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
CID 84583445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine?
The IUPAC name of 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine (CID 122096454) is 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine.
What is the SMILES notation for 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine?
The canonical SMILES for 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine is N/C(=N\CC1CN(Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1.
What is the InChIKey of 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine?
The InChIKey is OPPWRFBUCCMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c25-23(27-22-10-6-1-2-7-11-22)26-16-21-18-28(17-20-8-4-3-5-9-20)19-24(21)12-14-29-15-13-24/h3-5,8-9,21-22H,1-2,6-7,10-19H2,(H3,25,26,27).
What are the key properties of 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine?
2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine has a molecular weight of 398.60 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methyl]-1-cycloheptylguanidine is sourced from PubChem (CID 122096454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).