N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide

C20H35N5 — CID 134121906

IUPACN'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide
SMILESCC1CCCCN1/C(=N\CC(C)(C)CN)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H35N5/c1-16-8-6-7-13-25(16)19(22-15-20(2,3)14-21)23-17-9-11-18(12-10-17)24(4)5/h9-12,16H,6-8,13-15,21H2,1-5H3,(H,22,23)
InChIKeyBRLCWSOPVQRZEO-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.38
Rot. Bonds5

About N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide

N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide (PubChem CID 134121906) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide
PubChem CID134121906
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC NameN'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide
SMILESCC1CCCCN1/C(=N\CC(C)(C)CN)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H35N5/c1-16-8-6-7-13-25(16)19(22-15-20(2,3)14-21)23-17-9-11-18(12-10-17)24(4)5/h9-12,16H,6-8,13-15,21H2,1-5H3,(H,22,23)
InChIKeyBRLCWSOPVQRZEO-UHFFFAOYSA-N
XLogP3.38
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
CID 134088937
N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
CID 134121905
N'-(3-aminopropyl)-2-methyl-N-[4-(3-methylbutoxy)phenyl]piperidine-1-carboximidamide
CID 11559557
N'-(3-amino-2,2-dimethylpropyl)-4-benzyl-N-[4-(2-cyclohexylethoxy)phenyl]piperidine-1-carboximidamide
CID 69003801
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
CID 134111402
N'-[(5-bromo-2-fluorophenyl)methyl]-N-(4-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide
CID 134099638
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 79662090
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
N'-(3-amino-2,2-dimethylpropyl)-N-(3-chloro-4-fluorophenyl)morpholine-4-carboximidamide
CID 134108665

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide (CID 134121906) is N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide is CC1CCCCN1/C(=N\CC(C)(C)CN)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide?
The InChIKey is BRLCWSOPVQRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-16-8-6-7-13-25(16)19(22-15-20(2,3)14-21)23-17-9-11-18(12-10-17)24(4)5/h9-12,16H,6-8,13-15,21H2,1-5H3,(H,22,23).
What are the key properties of N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide?
N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide has a molecular weight of 345.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 134121906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).