N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide

C14H30N4 — CID 143512954

IUPACN-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H30N4/c1-5-8-16-13(17-15)18-9-6-12(7-10-18)11-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyAIXAZFKMCAQHNZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.36
Rot. Bonds3

About N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide

N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide (PubChem CID 143512954) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide
PubChem CID143512954
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H30N4/c1-5-8-16-13(17-15)18-9-6-12(7-10-18)11-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyAIXAZFKMCAQHNZ-UHFFFAOYSA-N
XLogP2.36
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.36
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-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887095
N-amino-N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887096
N-amino-N'-(2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887101
N-amino-N'-butyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 113531077
N-amino-N'-butyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 113531083
1,2-Dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
CID 59140966
N-amino-N',4-dimethylpiperidine-1-carboximidamide
CID 121599478
N'-amino-3-ethylpiperidine-1-carboximidamide
CID 64868360
N'-amino-3-ethylpiperidine-1-carboximidamide
CID 77053933

Frequently Asked Questions

What is the IUPAC name of N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide (CID 143512954) is N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\NN)N1CCC(CC(C)(C)C)CC1.
What is the InChIKey of N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide?
The InChIKey is AIXAZFKMCAQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-8-16-13(17-15)18-9-6-12(7-10-18)11-14(2,3)4/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide?
N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide has a molecular weight of 254.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 143512954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).