N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide

C12H21N3 — CID 111153539

IUPACN',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
SMILESC#CCN/C(=N\C)N1CC(C)CC(C)C1
InChIInChI=1S/C12H21N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h1,10-11H,6-9H2,2-4H3,(H,13,14)
InChIKeyNWQYZNYQSURQKN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.17
Rot. Bonds1

About N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide

N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide (PubChem CID 111153539) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
PubChem CID111153539
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
SMILESC#CCN/C(=N\C)N1CC(C)CC(C)C1
InChIInChI=1S/C12H21N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h1,10-11H,6-9H2,2-4H3,(H,13,14)
InChIKeyNWQYZNYQSURQKN-UHFFFAOYSA-N
XLogP1.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.17
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N',3,5-trimethyl-N-prop-2-ynylpiperidine-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-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N',3,5-trimethyl-N-(2-methylcyclopropyl)piperidine-1-carboximidamide
CID 111153377
N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153754
methyl 1-(N'-methyl-N-prop-2-ynylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
CID 111253226
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154501
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153374
N',3,5-trimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111154516
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111153617
tert-butyl N-[1-(N'-methyl-N-prop-2-ynylcarbamimidoyl)pyrrolidin-3-yl]carbamate
CID 111730097

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide (CID 111153539) is N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide is C#CCN/C(=N\C)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide?
The InChIKey is NWQYZNYQSURQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h1,10-11H,6-9H2,2-4H3,(H,13,14).
What are the key properties of N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide?
N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide has a molecular weight of 207.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).