N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide

C10H22N4 — CID 69471324

IUPACN'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide
SMILESCNC[C@H](C)/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H22N4/c1-9(8-12-2)13-10(11)14-6-4-3-5-7-14/h9,12H,3-8H2,1-2H3,(H2,11,13)/t9-/m0/s1
InChIKeyVKFIJOXBTGSKSF-VIFPVBQESA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds3

About N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide

N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide (PubChem CID 69471324) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide
PubChem CID69471324
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC NameN'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide
SMILESCNC[C@H](C)/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H22N4/c1-9(8-12-2)13-10(11)14-6-4-3-5-7-14/h9,12H,3-8H2,1-2H3,(H2,11,13)/t9-/m0/s1
InChIKeyVKFIJOXBTGSKSF-VIFPVBQESA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide (CID 69471324) is N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide is CNC[C@H](C)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide?
The InChIKey is VKFIJOXBTGSKSF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N4/c1-9(8-12-2)13-10(11)14-6-4-3-5-7-14/h9,12H,3-8H2,1-2H3,(H2,11,13)/t9-/m0/s1.
What are the key properties of N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide?
N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide has a molecular weight of 198.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide is sourced from PubChem (CID 69471324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).