(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide

C12H23N3 — CID 95905150

IUPAC(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CCN/C(=N\C)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H23N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h5,10-11H,1,6-9H2,2-4H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyVKJBAAIEDLQGMB-QWRGUYRKSA-N
MW209.34 g/mol
LogP1.73
Rot. Bonds2

About (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide

(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide (PubChem CID 95905150) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
PubChem CID95905150
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CCN/C(=N\C)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H23N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h5,10-11H,1,6-9H2,2-4H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyVKJBAAIEDLQGMB-QWRGUYRKSA-N
XLogP1.73
TPSA27.63 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 ≤ 51.73
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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Related Compounds

(3S)-3-methyl-N'-(3-methylbut-2-enyl)piperidine-1-carboximidamide
CID 99832797
(3S)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816799
(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816800
2-Methyl-1-prop-2-enyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968146
2-Methyl-1-prop-2-enyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968147
N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide;hydroiodide
CID 121514354
N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 121514355
1-Prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 136921210
1-Ethyl-3-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 136925095
1-Ethyl-3-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 136925096
1-[4-(3,5-Dimethylpiperidin-1-yl)butyl]-2,3-dimethylguanidine
CID 53561283
N,2,3-trimethyl-6-(3-methylpiperidin-1-yl)-4H-pyrimidin-4-amine
CID 53982344

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide?
The IUPAC name of (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide (CID 95905150) is (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide.
What is the SMILES notation for (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide?
The canonical SMILES for (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide is C=CCN/C(=N\C)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide?
The InChIKey is VKJBAAIEDLQGMB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-14-12(13-4)15-8-10(2)7-11(3)9-15/h5,10-11H,1,6-9H2,2-4H3,(H,13,14)/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide?
(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide is sourced from PubChem (CID 95905150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).