N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide

C15H29N3 — CID 62931659

IUPACN'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H29N3/c1-14(2,3)17-13(16)18-11-9-15(10-12-18)7-5-4-6-8-15/h4-12H2,1-3H3,(H2,16,17)
InChIKeyBLJKHOHIQVANCO-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.15
Rot. Bonds

About N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide

N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide (PubChem CID 62931659) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide
PubChem CID62931659
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H29N3/c1-14(2,3)17-13(16)18-11-9-15(10-12-18)7-5-4-6-8-15/h4-12H2,1-3H3,(H2,16,17)
InChIKeyBLJKHOHIQVANCO-UHFFFAOYSA-N
XLogP3.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Aza-spiro[5,5]undecane-3-carboxamidine
CID 44185447
N-butyl-N'-cyclohexyl-3-(2,2-dimethylbutyl)-N-ethylpiperidine-1-carboximidamide
CID 90754989
3-Azaspiro[5.5]undecane-3-carboximidamide;ethane
CID 143960254
3-(3,3-Dimethylbutyl)piperidine-1-carboximidamide
CID 159543302
2-cyclohexyl-N'-ethylpiperidine-1-carboximidamide
CID 175274087
N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide
CID 55156903
N'-cyclopropyl-3-azaspiro[5.5]undecane-3-carboximidamide
CID 55157092
N'-cyclohexyl-4,4-diethylpiperidine-1-carboximidamide
CID 55158726
N',4-ditert-butylpiperidine-1-carboximidamide
CID 62362818
N'-cyclohexyl-3-ethylpiperidine-1-carboximidamide
CID 62362939
4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
CID 62363188
N'-cyclohexyl-2,3-dimethylpiperidine-1-carboximidamide
CID 62363397

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The IUPAC name of N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide (CID 62931659) is N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide is CC(C)(C)/N=C(\N)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The InChIKey is BLJKHOHIQVANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-14(2,3)17-13(16)18-11-9-15(10-12-18)7-5-4-6-8-15/h4-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide?
N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide has a molecular weight of 251.42 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-azaspiro[5.5]undecane-3-carboximidamide is sourced from PubChem (CID 62931659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).