N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

C12H26N4 — CID 104888959

IUPACN-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCC(C)C(C)C1
InChIInChI=1S/C12H26N4/c1-9(2)7-14-12(15-13)16-6-5-10(3)11(4)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyKSTDMFCJDGSEOO-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.44
Rot. Bonds2

About N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 104888959) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID104888959
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCC(C)C(C)C1
InChIInChI=1S/C12H26N4/c1-9(2)7-14-12(15-13)16-6-5-10(3)11(4)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyKSTDMFCJDGSEOO-UHFFFAOYSA-N
XLogP1.44
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3,4-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104888958
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104884230
N-amino-2-ethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883908
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 104885333
N-amino-N'-(2-methylpropyl)-1,4-thiazepane-4-carboximidamide
CID 104885614
N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 104882599
N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 104886298
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
N-amino-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883874
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877

Frequently Asked Questions

What is the IUPAC name of N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 104888959) is N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCC(C)C(C)C1.
What is the InChIKey of N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is KSTDMFCJDGSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-9(2)7-14-12(15-13)16-6-5-10(3)11(4)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104888959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).