N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide

C9H22N6 — CID 172989581

IUPACN'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide
SMILESCNN(CC/C(N)=N\N)[C@@H]1CCCNC1
InChIInChI=1S/C9H22N6/c1-12-15(6-4-9(10)14-11)8-3-2-5-13-7-8/h8,12-13H,2-7,11H2,1H3,(H2,10,14)/t8-/m1/s1
InChIKeyCMYIVBRFDCDMMI-MRVPVSSYSA-N
MW214.32 g/mol
LogP-1.20
Rot. Bonds5

About N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide

N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide (PubChem CID 172989581) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide.

Molecular Properties

Compound NameN'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide
PubChem CID172989581
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC NameN'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide
SMILESCNN(CC/C(N)=N\N)[C@@H]1CCCNC1
InChIInChI=1S/C9H22N6/c1-12-15(6-4-9(10)14-11)8-3-2-5-13-7-8/h8,12-13H,2-7,11H2,1H3,(H2,10,14)/t8-/m1/s1
InChIKeyCMYIVBRFDCDMMI-MRVPVSSYSA-N
XLogP-1.20
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide?
The IUPAC name of N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide (CID 172989581) is N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide.
What is the SMILES notation for N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide?
The canonical SMILES for N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide is CNN(CC/C(N)=N\N)[C@@H]1CCCNC1.
What is the InChIKey of N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide?
The InChIKey is CMYIVBRFDCDMMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H22N6/c1-12-15(6-4-9(10)14-11)8-3-2-5-13-7-8/h8,12-13H,2-7,11H2,1H3,(H2,10,14)/t8-/m1/s1.
What are the key properties of N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide?
N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide has a molecular weight of 214.32 g/mol, XLogP of -1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide is sourced from PubChem (CID 172989581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).