2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide

C18H27N3 — CID 62937438

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27N3/c1-14-5-6-15(17(19)20)16(13-14)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13H,2-4,7-12H2,1H3,(H3,19,20)
InChIKeyFFLAKVWHHCKBNE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.83
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide

2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide (PubChem CID 62937438) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
PubChem CID62937438
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27N3/c1-14-5-6-15(17(19)20)16(13-14)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13H,2-4,7-12H2,1H3,(H3,19,20)
InChIKeyFFLAKVWHHCKBNE-UHFFFAOYSA-N
XLogP3.83
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide 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-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide (CID 62937438) is 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide?
The InChIKey is FFLAKVWHHCKBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-5-6-15(17(19)20)16(13-14)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13H,2-4,7-12H2,1H3,(H3,19,20).
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide?
2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide has a molecular weight of 285.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62937438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).