N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide

C15H31N3 — CID 58689256

IUPACN,N',4-tri(propan-2-yl)piperidine-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N3/c1-11(2)14-7-9-18(10-8-14)15(16-12(3)4)17-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyPFHBCOXDIZOKJT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.12
Rot. Bonds3

About N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide

N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide (PubChem CID 58689256) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN,N',4-tri(propan-2-yl)piperidine-1-carboximidamide
PubChem CID58689256
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,N',4-tri(propan-2-yl)piperidine-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N3/c1-11(2)14-7-9-18(10-8-14)15(16-12(3)4)17-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyPFHBCOXDIZOKJT-UHFFFAOYSA-N
XLogP3.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.12
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'}

Analyze N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
1-Cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl) guanidine
CID 102913365
2-Methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473455
1-Ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474849
1-Butan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111752911
1-Propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822473
1-Ethyl-3-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968306
1-Ethyl-3-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968307
2-Methyl-1-propan-2-yl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968312
2-Methyl-1-propan-2-yl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968313
N',3-dimethyl-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983733

Frequently Asked Questions

What is the IUPAC name of N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide (CID 58689256) is N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide is CC(C)/N=C(/NC(C)C)N1CCC(C(C)C)CC1.
What is the InChIKey of N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide?
The InChIKey is PFHBCOXDIZOKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-11(2)14-7-9-18(10-8-14)15(16-12(3)4)17-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide?
N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide has a molecular weight of 253.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 58689256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).