1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea

C9H20N4O — CID 59979624

IUPAC1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
SMILESCNC(=O)N(N)C[C@H]1CCCCN1C
InChIInChI=1S/C9H20N4O/c1-11-9(14)13(10)7-8-5-3-4-6-12(8)2/h8H,3-7,10H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyUEHUCKWQIFRLTE-MRVPVSSYSA-N
MW200.29 g/mol
LogP-0.01
Rot. Bonds2

About 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea

1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea (PubChem CID 59979624) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
PubChem CID59979624
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
SMILESCNC(=O)N(N)C[C@H]1CCCCN1C
InChIInChI=1S/C9H20N4O/c1-11-9(14)13(10)7-8-5-3-4-6-12(8)2/h8H,3-7,10H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyUEHUCKWQIFRLTE-MRVPVSSYSA-N
XLogP-0.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea?
The IUPAC name of 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea (CID 59979624) is 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea.
What is the SMILES notation for 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea?
The canonical SMILES for 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea is CNC(=O)N(N)C[C@H]1CCCCN1C.
What is the InChIKey of 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea?
The InChIKey is UEHUCKWQIFRLTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(14)13(10)7-8-5-3-4-6-12(8)2/h8H,3-7,10H2,1-2H3,(H,11,14)/t8-/m1/s1.
What are the key properties of 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea?
1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea has a molecular weight of 200.29 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea is sourced from PubChem (CID 59979624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).