(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide

C11H24N4 — CID 59069931

IUPAC(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC(C)C)C1C
InChIInChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeyNGOGPVIGXPOKRA-AXDSSHIGSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds2

About (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide

(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide (PubChem CID 59069931) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
PubChem CID59069931
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC(C)C)C1C
InChIInChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeyNGOGPVIGXPOKRA-AXDSSHIGSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3S)-N',2-dimethyl-3-(propan-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The IUPAC name of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide (CID 59069931) is (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide.
What is the SMILES notation for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The canonical SMILES for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide is C/N=C(\N)N1CCC[C@H](NC(C)C)C1C.
What is the InChIKey of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The InChIKey is NGOGPVIGXPOKRA-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1.
What are the key properties of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide is sourced from PubChem (CID 59069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).