(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine

C9H19N3 — CID 89276234

IUPAC(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine
SMILESC/C=C(/C=N\N(C)C)[C@@H](C)NC
InChIInChI=1S/C9H19N3/c1-6-9(8(2)10-3)7-11-12(4)5/h6-8,10H,1-5H3/b9-6-,11-7-/t8-/m1/s1
InChIKeyGIFUBLKEMDYWTO-DMHDCIOASA-N
MW169.27 g/mol
LogP1.09
Rot. Bonds4

About (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine

(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine (PubChem CID 89276234) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine
PubChem CID89276234
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine
SMILESC/C=C(/C=N\N(C)C)[C@@H](C)NC
InChIInChI=1S/C9H19N3/c1-6-9(8(2)10-3)7-11-12(4)5/h6-8,10H,1-5H3/b9-6-,11-7-/t8-/m1/s1
InChIKeyGIFUBLKEMDYWTO-DMHDCIOASA-N
XLogP1.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine?
The IUPAC name of (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine (CID 89276234) is (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine.
What is the SMILES notation for (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine?
The canonical SMILES for (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine is C/C=C(/C=N\N(C)C)[C@@H](C)NC.
What is the InChIKey of (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine?
The InChIKey is GIFUBLKEMDYWTO-DMHDCIOASA-N. The full InChI is InChI=1S/C9H19N3/c1-6-9(8(2)10-3)7-11-12(4)5/h6-8,10H,1-5H3/b9-6-,11-7-/t8-/m1/s1.
What are the key properties of (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine?
(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine is sourced from PubChem (CID 89276234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).