(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide

C12H23N3 — CID 99832797

IUPAC(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
SMILESCC(C)=CC/N=C(\N)N1CCC[C@H](C)C1
InChIInChI=1S/C12H23N3/c1-10(2)6-7-14-12(13)15-8-4-5-11(3)9-15/h6,11H,4-5,7-9H2,1-3H3,(H2,13,14)/t11-/m0/s1
InChIKeyIOQRGBAMTXJIEY-NSHDSACASA-N
MW209.34 g/mol
LogP2.00
Rot. Bonds2

About (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide

(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide (PubChem CID 99832797) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
PubChem CID99832797
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
SMILESCC(C)=CC/N=C(\N)N1CCC[C@H](C)C1
InChIInChI=1S/C12H23N3/c1-10(2)6-7-14-12(13)15-8-4-5-11(3)9-15/h6,11H,4-5,7-9H2,1-3H3,(H2,13,14)/t11-/m0/s1
InChIKeyIOQRGBAMTXJIEY-NSHDSACASA-N
XLogP2.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.00
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide?
The IUPAC name of (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide (CID 99832797) is (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide?
The canonical SMILES for (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide is CC(C)=CC/N=C(\N)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide?
The InChIKey is IOQRGBAMTXJIEY-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)6-7-14-12(13)15-8-4-5-11(3)9-15/h6,11H,4-5,7-9H2,1-3H3,(H2,13,14)/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide?
(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide is sourced from PubChem (CID 99832797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).