N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide

C9H19N3 — CID 118489956

IUPACN'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N/C=N/C[C@@H](C)CNC
InChIInChI=1S/C9H19N3/c1-4-5-11-8-12-7-9(2)6-10-3/h4-5,8-10H,6-7H2,1-3H3,(H,11,12)/b5-4+/t9-/m0/s1
InChIKeyVEECIXOMOIHHEN-MOVJSRMASA-N
MW169.27 g/mol
LogP0.99
Rot. Bonds6

About N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide

N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide (PubChem CID 118489956) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide
PubChem CID118489956
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N/C=N/C[C@@H](C)CNC
InChIInChI=1S/C9H19N3/c1-4-5-11-8-12-7-9(2)6-10-3/h4-5,8-10H,6-7H2,1-3H3,(H,11,12)/b5-4+/t9-/m0/s1
InChIKeyVEECIXOMOIHHEN-MOVJSRMASA-N
XLogP0.99
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.99
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)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide (CID 118489956) is N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide is C/C=C/N/C=N/C[C@@H](C)CNC.
What is the InChIKey of N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is VEECIXOMOIHHEN-MOVJSRMASA-N. The full InChI is InChI=1S/C9H19N3/c1-4-5-11-8-12-7-9(2)6-10-3/h4-5,8-10H,6-7H2,1-3H3,(H,11,12)/b5-4+/t9-/m0/s1.
What are the key properties of N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide?
N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-methyl-3-(methylamino)propyl]-N-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 118489956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).