N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide

C12H25N3 — CID 62364580

IUPACN'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C(C)(C)C)C(C)C1
InChIInChI=1S/C12H25N3/c1-9-6-7-15(10(2)8-9)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyORMYOKCJOBLRET-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.22
Rot. Bonds

About N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide

N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide (PubChem CID 62364580) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide
PubChem CID62364580
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C(C)(C)C)C(C)C1
InChIInChI=1S/C12H25N3/c1-9-6-7-15(10(2)8-9)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyORMYOKCJOBLRET-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.22
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

2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
2-(2,4-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537076
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 62331621
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 62332502
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 80589082
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 62331429
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62330298
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide (CID 62364580) is N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/C(C)(C)C)C(C)C1.
What is the InChIKey of N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide?
The InChIKey is ORMYOKCJOBLRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-9-6-7-15(10(2)8-9)11(13)14-12(3,4)5/h9-10H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide?
N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 62364580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).