N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide

C17H29N5 — CID 134088937

IUPACN'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
SMILESCC1CCCCN1/C(=N\CC(C)(C)CN)Nc1cccnc1
InChIInChI=1S/C17H29N5/c1-14-7-4-5-10-22(14)16(20-13-17(2,3)12-18)21-15-8-6-9-19-11-15/h6,8-9,11,14H,4-5,7,10,12-13,18H2,1-3H3,(H,20,21)
InChIKeyUJWCDWCXWAXJSB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.71
Rot. Bonds4

About N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide

N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide (PubChem CID 134088937) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
PubChem CID134088937
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC NameN'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
SMILESCC1CCCCN1/C(=N\CC(C)(C)CN)Nc1cccnc1
InChIInChI=1S/C17H29N5/c1-14-7-4-5-10-22(14)16(20-13-17(2,3)12-18)21-15-8-6-9-19-11-15/h6,8-9,11,14H,4-5,7,10,12-13,18H2,1-3H3,(H,20,21)
InChIKeyUJWCDWCXWAXJSB-UHFFFAOYSA-N
XLogP2.71
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(3-amino-2,2-dimethylpropyl)-N-[4-(dimethylamino)phenyl]-2-methylpiperidine-1-carboximidamide
CID 134121906
2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
CID 134088933
1-(3-amino-2,2-dimethylpropyl)-2-(2,2-dimethylpropyl)-3-pyridin-3-ylguanidine
CID 134111374
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
CID 134111402
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
N'-(3-aminopropyl)-2-methyl-N-[4-(3-methylbutoxy)phenyl]piperidine-1-carboximidamide
CID 11559557
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
N'-(3-amino-2,2-dimethylpropyl)-4-benzyl-N-[4-(2-cyclohexylethoxy)phenyl]piperidine-1-carboximidamide
CID 69003801
N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 134091927
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide (CID 134088937) is N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide is CC1CCCCN1/C(=N\CC(C)(C)CN)Nc1cccnc1.
What is the InChIKey of N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide?
The InChIKey is UJWCDWCXWAXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-14-7-4-5-10-22(14)16(20-13-17(2,3)12-18)21-15-8-6-9-19-11-15/h6,8-9,11,14H,4-5,7,10,12-13,18H2,1-3H3,(H,20,21).
What are the key properties of N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide?
N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 2.71, 4 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)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 134088937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).